2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide

C23H23ClN2O4S — CID 100788351

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-25(20-5-4-6-21(16-20)30-3)23(27)15-17-7-11-19(12-8-17)26(2)31(28,29)22-13-9-18(24)10-14-22/h4-14,16H,15H2,1-3H3
InChIKeyJVLKSPTWLCVUHP-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.38
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 100788351) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID100788351
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-25(20-5-4-6-21(16-20)30-3)23(27)15-17-7-11-19(12-8-17)26(2)31(28,29)22-13-9-18(24)10-14-22/h4-14,16H,15H2,1-3H3
InChIKeyJVLKSPTWLCVUHP-UHFFFAOYSA-N
XLogP4.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
4-(N-(4-chlorophenyl)sulfonyl-3-methoxyanilino)butanoic acid
CID 50891498
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100796896
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide (CID 100788351) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(N(C)C(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is JVLKSPTWLCVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-25(20-5-4-6-21(16-20)30-3)23(27)15-17-7-11-19(12-8-17)26(2)31(28,29)22-13-9-18(24)10-14-22/h4-14,16H,15H2,1-3H3.
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 458.97 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100788351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).