N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C18H18N4O3S — CID 27649780

IUPACN-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O3S/c23-17(22-18-20-15-8-4-5-9-16(15)21-18)10-12-19-26(24,25)13-11-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H2,20,21,22,23)/b13-11+
InChIKeyUABBFSAIZGEZTI-ACCUITESSA-N
MW370.43 g/mol
LogP2.48
Rot. Bonds7

About N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 27649780) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID27649780
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O3S/c23-17(22-18-20-15-8-4-5-9-16(15)21-18)10-12-19-26(24,25)13-11-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H2,20,21,22,23)/b13-11+
InChIKeyUABBFSAIZGEZTI-ACCUITESSA-N
XLogP2.48
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 18116527
N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 8850309
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
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N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 60513205
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
CID 60725316

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 27649780) is N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is UABBFSAIZGEZTI-ACCUITESSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-17(22-18-20-15-8-4-5-9-16(15)21-18)10-12-19-26(24,25)13-11-14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2,(H2,20,21,22,23)/b13-11+.
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 370.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 27649780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).