2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide

C23H29ClN2O4S — CID 4025829

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-17-8-10-18(11-9-17)15-25-23(27)16-26(19-6-4-3-5-7-19)31(28,29)20-12-13-22(30-2)21(24)14-20/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27)
InChIKeySMXPWEWJYUZEHJ-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.30
Rot. Bonds8

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 4025829) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID4025829
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-17-8-10-18(11-9-17)15-25-23(27)16-26(19-6-4-3-5-7-19)31(28,29)20-12-13-22(30-2)21(24)14-20/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27)
InChIKeySMXPWEWJYUZEHJ-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100796300
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797119
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetyl]amino]phenyl]acetamide
CID 100796330
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 100790062
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874436
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 3971662
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide (CID 4025829) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)C2CCCCC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is SMXPWEWJYUZEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-17-8-10-18(11-9-17)15-25-23(27)16-26(19-6-4-3-5-7-19)31(28,29)20-12-13-22(30-2)21(24)14-20/h8-14,19H,3-7,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 465.02 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 4025829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).