N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide

C20H24N4O3S — CID 56552652

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCCC(C)C(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O3S/c1-3-13(2)19(20-22-16-6-4-5-7-17(16)23-20)24-18(25)12-14-8-10-15(11-9-14)28(21,26)27/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyHOENIFADXGJDSK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.66
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56552652) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56552652
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCCC(C)C(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O3S/c1-3-13(2)19(20-22-16-6-4-5-7-17(16)23-20)24-18(25)12-14-8-10-15(11-9-14)28(21,26)27/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25)(H2,21,26,27)
InChIKeyHOENIFADXGJDSK-UHFFFAOYSA-N
XLogP2.66
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 55812701
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(cyanomethylsulfanyl)acetamide
CID 94613958
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide (CID 56552652) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide is CCC(C)C(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is HOENIFADXGJDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-13(2)19(20-22-16-6-4-5-7-17(16)23-20)24-18(25)12-14-8-10-15(11-9-14)28(21,26)27/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25)(H2,21,26,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56552652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).