2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide

C19H22N4O3S — CID 22551980

IUPAC2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H22N4O3S/c1-3-11-20-18(24)13-23(2)27(25,26)15-9-10-16-17(12-15)22-19(21-16)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyYQPSKKGBTZQCPH-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.38
Rot. Bonds7

About 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide

2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide (PubChem CID 22551980) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
PubChem CID22551980
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H22N4O3S/c1-3-11-20-18(24)13-23(2)27(25,26)15-9-10-16-17(12-15)22-19(21-16)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyYQPSKKGBTZQCPH-UHFFFAOYSA-N
XLogP2.38
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 22552039
N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552086
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452668
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide (CID 22551980) is 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide?
The InChIKey is YQPSKKGBTZQCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-11-20-18(24)13-23(2)27(25,26)15-9-10-16-17(12-15)22-19(21-16)14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide?
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide has a molecular weight of 386.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide is sourced from PubChem (CID 22551980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).