2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide

C28H26N4O4S — CID 134278239

IUPAC2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H26N4O4S/c1-37(35,36)26-10-6-5-9-21(26)27(33)31-23-13-16-32(18-22(23)19-7-3-2-4-8-19)28(34)20-11-12-24-25(17-20)30-15-14-29-24/h2-12,14-15,17,22-23H,13,16,18H2,1H3,(H,31,33)/t22-,23-/m1/s1
InChIKeyJBXJHMFITKLQDH-DHIUTWEWSA-N
MW514.61 g/mol
LogP3.46
Rot. Bonds5

About 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide

2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide (PubChem CID 134278239) has the molecular formula C28H26N4O4S and a molecular weight of 514.61 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
PubChem CID134278239
Molecular FormulaC28H26N4O4S
Molecular Weight514.61 g/mol
Exact Mass514.17
IUPAC Name2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H26N4O4S/c1-37(35,36)26-10-6-5-9-21(26)27(33)31-23-13-16-32(18-22(23)19-7-3-2-4-8-19)28(34)20-11-12-24-25(17-20)30-15-14-29-24/h2-12,14-15,17,22-23H,13,16,18H2,1H3,(H,31,33)/t22-,23-/m1/s1
InChIKeyJBXJHMFITKLQDH-DHIUTWEWSA-N
XLogP3.46
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 134278412
6-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]pyridine-3-carboxamide
CID 134278521
2-chloro-N-[(3S,4R)-1-(5-chloro-6-methoxypyridine-3-carbonyl)-3-phenylpiperidin-4-yl]benzamide
CID 134279035
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 134607378
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 134278855
N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134278487
N-[(3S,4R)-1-(2,3-dihydro-1H-benzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 135135274
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-(4-fluorophenyl)piperidin-4-yl]benzamide
CID 134278213
N-[(3S,4R)-1-(1H-indazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278691
N-[(3S,4R)-1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278157
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278367

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide (CID 134278239) is 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide is CS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is JBXJHMFITKLQDH-DHIUTWEWSA-N. The full InChI is InChI=1S/C28H26N4O4S/c1-37(35,36)26-10-6-5-9-21(26)27(33)31-23-13-16-32(18-22(23)19-7-3-2-4-8-19)28(34)20-11-12-24-25(17-20)30-15-14-29-24/h2-12,14-15,17,22-23H,13,16,18H2,1H3,(H,31,33)/t22-,23-/m1/s1.
What are the key properties of 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide?
2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 514.61 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134278239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).