2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide

C23H22Cl2N2O3S — CID 124662515

IUPAC2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16-8-10-22(11-9-16)31(29,30)27(21-13-19(24)12-20(25)14-21)15-23(28)26-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyTZRDBUPKYSPKBC-KRWDZBQOSA-N
MW477.41 g/mol
LogP5.37
Rot. Bonds7

About 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 124662515) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID124662515
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16-8-10-22(11-9-16)31(29,30)27(21-13-19(24)12-20(25)14-21)15-23(28)26-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyTZRDBUPKYSPKBC-KRWDZBQOSA-N
XLogP5.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30306959
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3458879
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902492
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 92677059
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133241754
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30305594
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide (CID 124662515) is 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is TZRDBUPKYSPKBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16-8-10-22(11-9-16)31(29,30)27(21-13-19(24)12-20(25)14-21)15-23(28)26-17(2)18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide?
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 477.41 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 124662515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).