2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C23H22ClFN2O4S — CID 92681700

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22ClFN2O4S/c1-16(17-8-11-19(25)12-9-17)26-23(28)15-27(21-14-18(24)10-13-22(21)31-2)32(29,30)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyZKUJNQDMYAHBER-INIZCTEOSA-N
MW476.96 g/mol
LogP4.56
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 92681700) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID92681700
Molecular FormulaC23H22ClFN2O4S
Molecular Weight476.96 g/mol
Exact Mass476.10
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22ClFN2O4S/c1-16(17-8-11-19(25)12-9-17)26-23(28)15-27(21-14-18(24)10-13-22(21)31-2)32(29,30)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyZKUJNQDMYAHBER-INIZCTEOSA-N
XLogP4.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
CID 126269673
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078051
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43892886
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 92677059
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902050

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 92681700) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is ZKUJNQDMYAHBER-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-16(17-8-11-19(25)12-9-17)26-23(28)15-27(21-14-18(24)10-13-22(21)31-2)32(29,30)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 476.96 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 92681700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).