N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C20H21F2N3O4S — CID 55446532

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c2ccccc21
InChIInChI=1S/C20H21F2N3O4S/c1-2-12-24-15-8-4-5-9-16(15)25(20(24)27)13-11-18(26)23-14-7-3-6-10-17(14)30(28,29)19(21)22/h3-10,19H,2,11-13H2,1H3,(H,23,26)
InChIKeyGJLNEDIOHAWNSC-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 55446532) has the molecular formula C20H21F2N3O4S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID55446532
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.47 g/mol
Exact Mass437.12
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c2ccccc21
InChIInChI=1S/C20H21F2N3O4S/c1-2-12-24-15-8-4-5-9-16(15)25(20(24)27)13-11-18(26)23-14-7-3-6-10-17(14)30(28,29)19(21)22/h3-10,19H,2,11-13H2,1H3,(H,23,26)
InChIKeyGJLNEDIOHAWNSC-UHFFFAOYSA-N
XLogP3.24
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
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CID 60703571
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638182
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55642613
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 55446532) is N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c2ccccc21.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is GJLNEDIOHAWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S/c1-2-12-24-15-8-4-5-9-16(15)25(20(24)27)13-11-18(26)23-14-7-3-6-10-17(14)30(28,29)19(21)22/h3-10,19H,2,11-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 437.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55446532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).