2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

C131H124N26O25S8 — CID 160707071

IUPAC2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O4S.C17H16N4O4S.5C16H15N3O3S.C16H15N3O2S/c1-2-16(23)20-11-6-8-12(9-7-11)27(25,26)10-15-21-14-5-3-4-13(18(19)24)17(14)22-15;1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15;5*1-10-5-7-11(8-6-10)23(21,22)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14;1-10-5-7-11(8-6-10)22(21)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);5*2-8H,9H2,1H3,(H2,17,20)(H,18,19);2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyRRJCZGRHYNMHRB-UHFFFAOYSA-N
MW2719.13 g/mol
LogP15.58
Rot. Bonds35

About 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 160707071) has the molecular formula C131H124N26O25S8 and a molecular weight of 2719.13 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
PubChem CID160707071
Molecular FormulaC131H124N26O25S8
Molecular Weight2719.13 g/mol
Exact Mass2716.70
IUPAC Name2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O4S.C17H16N4O4S.5C16H15N3O3S.C16H15N3O2S/c1-2-16(23)20-11-6-8-12(9-7-11)27(25,26)10-15-21-14-5-3-4-13(18(19)24)17(14)22-15;1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15;5*1-10-5-7-11(8-6-10)23(21,22)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14;1-10-5-7-11(8-6-10)22(21)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);5*2-8H,9H2,1H3,(H2,17,20)(H,18,19);2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyRRJCZGRHYNMHRB-UHFFFAOYSA-N
XLogP15.58
TPSA888.41 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.13
LogP ≤ 515.58
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 10000212
2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 10317218
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 10474415
2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 60070816
2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 60070822
2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 60070826
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;methane;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;phenyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide)
CID 157110537
benzyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfanyl]phenyl]carbamate;2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(3-methylpyrrolidin-1-yl)methyl]-1H-benzimidazole-4-carboxamide;2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 158134011
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(2-piperidin-1-ylethylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;bis(2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide);1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
CID 158364047
2-[(4-acetamidophenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide;2-[[4-(1-aminoethenylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-benzylsulfanyl-1H-benzimidazole-4-carboxamide;2-benzylsulfonyl-1H-benzimidazole-4-carboxamide;methyl N-[4-[(4-carbamoyl-1H-benzimidazol-2-yl)methylsulfonyl]phenyl]carbamate;bis(2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide);2-[[4-(3-phenylpropanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
CID 158811782
2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-[[4-(dimethylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide;2-(heptylsulfanylmethyl)-1H-benzimidazole-4-carboxamide;2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1H-benzimidazole-4-carboxamide;tris(2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide);2-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 158939766
2-[2-(butylamino)ethylsulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-(heptylsulfonylmethyl)-1H-benzimidazole-4-carboxamide;methane
CID 159524369

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (CID 160707071) is 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.CCC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.Cc1ccc(S(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is RRJCZGRHYNMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S.C17H16N4O4S.5C16H15N3O3S.C16H15N3O2S/c1-2-16(23)20-11-6-8-12(9-7-11)27(25,26)10-15-21-14-5-3-4-13(18(19)24)17(14)22-15;1-10(22)19-11-5-7-12(8-6-11)26(24,25)9-15-20-14-4-2-3-13(17(18)23)16(14)21-15;5*1-10-5-7-11(8-6-10)23(21,22)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14;1-10-5-7-11(8-6-10)22(21)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22);2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21);5*2-8H,9H2,1H3,(H2,17,20)(H,18,19);2-8H,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 2719.13 g/mol, XLogP of 15.58, 35 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide;2-[(4-methylphenyl)sulfinylmethyl]-1H-benzimidazole-4-carboxamide;pentakis(2-[(4-methylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide);2-[[4-(propanoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 160707071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).