3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide

C19H20F2N4O3S — CID 24601096

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C19H20F2N4O3S/c1-2-11-25-17-6-4-3-5-16(17)23-19(25)24-18(26)9-10-22-29(27,28)13-7-8-14(20)15(21)12-13/h3-8,12,22H,2,9-11H2,1H3,(H,23,24,26)
InChIKeyWIFREMPNPLATIW-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.03
Rot. Bonds8

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide (PubChem CID 24601096) has the molecular formula C19H20F2N4O3S and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide
PubChem CID24601096
Molecular FormulaC19H20F2N4O3S
Molecular Weight422.46 g/mol
Exact Mass422.12
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C19H20F2N4O3S/c1-2-11-25-17-6-4-3-5-16(17)23-19(25)24-18(26)9-10-22-29(27,28)13-7-8-14(20)15(21)12-13/h3-8,12,22H,2,9-11H2,1H3,(H,23,24,26)
InChIKeyWIFREMPNPLATIW-UHFFFAOYSA-N
XLogP3.03
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-propylbenzimidazol-2-yl)hexanamide
CID 24601101
3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
CID 55376371
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063208
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide (CID 24601096) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide is CCCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is WIFREMPNPLATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3S/c1-2-11-25-17-6-4-3-5-16(17)23-19(25)24-18(26)9-10-22-29(27,28)13-7-8-14(20)15(21)12-13/h3-8,12,22H,2,9-11H2,1H3,(H,23,24,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 422.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24601096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).