2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

C23H23ClN2O3S — CID 28633983

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22(27)16-26(30(2,28)29)21-10-6-9-20(24)15-21/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyHDOGKHMTNIRDMB-QHCPKHFHSA-N
MW442.97 g/mol
LogP4.32
Rot. Bonds7

About 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 28633983) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID28633983
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22(27)16-26(30(2,28)29)21-10-6-9-20(24)15-21/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1
InChIKeyHDOGKHMTNIRDMB-QHCPKHFHSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896049
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 2225967
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 46771213
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25357774
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305110
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (CID 28633983) is 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is HDOGKHMTNIRDMB-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22(27)16-26(30(2,28)29)21-10-6-9-20(24)15-21/h3-15,23H,16H2,1-2H3,(H,25,27)/t23-/m0/s1.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 442.97 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 28633983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).