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

C24H25ClN2O3S — CID 43896049

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCc1cccc(C(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-7-11-20(14-17)24(19-9-5-4-6-10-19)26-23(28)16-27(31(3,29)30)21-13-12-18(2)22(25)15-21/h4-15,24H,16H2,1-3H3,(H,26,28)
InChIKeyHDMLQIYRRPXYEA-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.63
Rot. Bonds7

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

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 43896049) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID43896049
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCc1cccc(C(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2)c1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-7-11-20(14-17)24(19-9-5-4-6-10-19)26-23(28)16-27(31(3,29)30)21-13-12-18(2)22(25)15-21/h4-15,24H,16H2,1-3H3,(H,26,28)
InChIKeyHDMLQIYRRPXYEA-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185213
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43895616
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30226260
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43901622
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 43896049) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is Cc1cccc(C(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is HDMLQIYRRPXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-17-8-7-11-20(14-17)24(19-9-5-4-6-10-19)26-23(28)16-27(31(3,29)30)21-13-12-18(2)22(25)15-21/h4-15,24H,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 43896049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).