N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

C25H27N5O4S — CID 24621592

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C25H27N5O4S/c1-16-24(17(2)34-29-16)35(32,33)30-12-10-19(11-13-30)25(31)28-23(18-6-4-3-5-7-18)20-8-9-21-22(14-20)27-15-26-21/h3-9,14-15,19,23H,10-13H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyRCQQWZUTKXDUMJ-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.47
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 24621592) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID24621592
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C25H27N5O4S/c1-16-24(17(2)34-29-16)35(32,33)30-12-10-19(11-13-30)25(31)28-23(18-6-4-3-5-7-18)20-8-9-21-22(14-20)27-15-26-21/h3-9,14-15,19,23H,10-13H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyRCQQWZUTKXDUMJ-UHFFFAOYSA-N
XLogP3.47
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 25350423
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 98726623
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
N-[cyano-(2-fluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 56572242
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 31393259
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108565743
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 24621592) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is RCQQWZUTKXDUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-16-24(17(2)34-29-16)35(32,33)30-12-10-19(11-13-30)25(31)28-23(18-6-4-3-5-7-18)20-8-9-21-22(14-20)27-15-26-21/h3-9,14-15,19,23H,10-13H2,1-2H3,(H,26,27)(H,28,31).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 24621592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).