N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide

C22H28N2O4S — CID 53004521

IUPACN-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C22H28N2O4S/c1-15-9-11-19(12-10-15)29(27,28)21-16(2)13-17(3)24(22(21)26)14-20(25)23-18-7-5-4-6-8-18/h9-13,18H,4-8,14H2,1-3H3,(H,23,25)
InChIKeyVHLJOVTWWKYYQQ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.06
Rot. Bonds5

About N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide

N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53004521) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
PubChem CID53004521
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C22H28N2O4S/c1-15-9-11-19(12-10-15)29(27,28)21-16(2)13-17(3)24(22(21)26)14-20(25)23-18-7-5-4-6-8-18/h9-13,18H,4-8,14H2,1-3H3,(H,23,25)
InChIKeyVHLJOVTWWKYYQQ-UHFFFAOYSA-N
XLogP3.06
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44283905
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483839
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)propanamide
CID 10384666
N-(4-Amino-cyclohexylmethyl)-2-[6-methyl-2-oxo-3-(toluene-4-sulfonylamino)-2H-pyridin-1-yl]-acetamide
CID 44283808
N-[(3-Fluorophenyl)methyl]-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53161460
(E)-N-cyclohexyl-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 2344304
(3S,6S)-3,6-Diisobutyl-4-((E)-3-(4-(methylsulfonyl)phenyl)acryloyl)piperazin-2-one
CID 68158663
2-{cyclohexyl[(4-methylphenyl)sulfonyl]amino}-N-methylacetamide
CID 844965
Cambridge id 6737860
CID 1163281
6-[6-[2-(4-methylsulfonylphenyl)ethyl-propylamino]hexyl-propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 44368764

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (CID 53004521) is N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NC3CCCCC3)c2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is VHLJOVTWWKYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-9-11-19(12-10-15)29(27,28)21-16(2)13-17(3)24(22(21)26)14-20(25)23-18-7-5-4-6-8-18/h9-13,18H,4-8,14H2,1-3H3,(H,23,25).
What are the key properties of N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53004521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).