N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C18H18N4O3S — CID 8850309

IUPACN-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-22(26(24,25)12-11-14-7-3-2-4-8-14)13-17(23)21-18-19-15-9-5-6-10-16(15)20-18/h2-12H,13H2,1H3,(H2,19,20,21,23)/b12-11+
InChIKeyUREPDYBMMWYRRC-VAWYXSNFSA-N
MW370.43 g/mol
LogP2.43
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 8850309) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID8850309
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N4O3S/c1-22(26(24,25)12-11-14-7-3-2-4-8-14)13-17(23)21-18-19-15-9-5-6-10-16(15)20-18/h2-12H,13H2,1H3,(H2,19,20,21,23)/b12-11+
InChIKeyUREPDYBMMWYRRC-VAWYXSNFSA-N
XLogP2.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27649780
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 135616579
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 8850309) is N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is UREPDYBMMWYRRC-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22(26(24,25)12-11-14-7-3-2-4-8-14)13-17(23)21-18-19-15-9-5-6-10-16(15)20-18/h2-12H,13H2,1H3,(H2,19,20,21,23)/b12-11+.
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 8850309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).