N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

C24H29FN4O4S — CID 30256501

IUPACN-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccc(C)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H29FN4O4S/c1-3-10-29-22-7-6-19(34(31,32)28-11-13-33-14-12-28)16-21(22)27-23(29)8-9-24(30)26-18-5-4-17(2)20(25)15-18/h4-7,15-16H,3,8-14H2,1-2H3,(H,26,30)
InChIKeyWGSKQTSKDNTFLV-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.49
Rot. Bonds8

About N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (PubChem CID 30256501) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
PubChem CID30256501
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccc(C)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H29FN4O4S/c1-3-10-29-22-7-6-19(34(31,32)28-11-13-33-14-12-28)16-21(22)27-23(29)8-9-24(30)26-18-5-4-17(2)20(25)15-18/h4-7,15-16H,3,8-14H2,1-2H3,(H,26,30)
InChIKeyWGSKQTSKDNTFLV-UHFFFAOYSA-N
XLogP3.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
N-naphthalen-2-yl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24638965
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26360656
N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26086621
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-methyl-3-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzamide
CID 24615509
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (CID 30256501) is N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)Nc2ccc(C)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is WGSKQTSKDNTFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-3-10-29-22-7-6-19(34(31,32)28-11-13-33-14-12-28)16-21(22)27-23(29)8-9-24(30)26-18-5-4-17(2)20(25)15-18/h4-7,15-16H,3,8-14H2,1-2H3,(H,26,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 488.59 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 30256501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).