3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C20H22N4O3S — CID 17480456

IUPAC3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N4O3S/c25-20(10-13-23-15-21-18-8-1-2-9-19(18)23)22-16-6-5-7-17(14-16)28(26,27)24-11-3-4-12-24/h1-2,5-9,14-15H,3-4,10-13H2,(H,22,25)
InChIKeyYMSVIJPYUCQYQM-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.85
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 17480456) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID17480456
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N4O3S/c25-20(10-13-23-15-21-18-8-1-2-9-19(18)23)22-16-6-5-7-17(14-16)28(26,27)24-11-3-4-12-24/h1-2,5-9,14-15H,3-4,10-13H2,(H,22,25)
InChIKeyYMSVIJPYUCQYQM-UHFFFAOYSA-N
XLogP2.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53064004
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059
N-(1,3-benzothiazol-2-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064041
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
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3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 50777025
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 17480456) is 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YMSVIJPYUCQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(10-13-23-15-21-18-8-1-2-9-19(18)23)22-16-6-5-7-17(14-16)28(26,27)24-11-3-4-12-24/h1-2,5-9,14-15H,3-4,10-13H2,(H,22,25).
What are the key properties of 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 17480456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).