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

C23H27FN4O4S — CID 42547246

IUPACN-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H27FN4O4S/c1-2-11-28-21-8-7-19(33(30,31)27-12-14-32-15-13-27)16-20(21)26-22(28)9-10-23(29)25-18-5-3-17(24)4-6-18/h3-8,16H,2,9-15H2,1H3,(H,25,29)
InChIKeyKDQVRNJBFHZHAS-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.18
Rot. Bonds8

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

N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (PubChem CID 42547246) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
PubChem CID42547246
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC NameN-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H27FN4O4S/c1-2-11-28-21-8-7-19(33(30,31)27-12-14-32-15-13-27)16-20(21)26-22(28)9-10-23(29)25-18-5-3-17(24)4-6-18/h3-8,16H,2,9-15H2,1H3,(H,25,29)
InChIKeyKDQVRNJBFHZHAS-UHFFFAOYSA-N
XLogP3.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (CID 42547246) is N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is KDQVRNJBFHZHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c1-2-11-28-21-8-7-19(33(30,31)27-12-14-32-15-13-27)16-20(21)26-22(28)9-10-23(29)25-18-5-3-17(24)4-6-18/h3-8,16H,2,9-15H2,1H3,(H,25,29).
What are the key properties of N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 474.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 42547246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).