2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C19H23ClN2O4S — CID 9262978

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-13-8-9-18(26-3)17(10-13)14(2)21-19(23)12-22(27(4,24)25)16-7-5-6-15(20)11-16/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyUXKKOLIVMNIZTP-AWEZNQCLSA-N
MW410.92 g/mol
LogP3.30
Rot. Bonds7

About 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 9262978) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID9262978
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-13-8-9-18(26-3)17(10-13)14(2)21-19(23)12-22(27(4,24)25)16-7-5-6-15(20)11-16/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyUXKKOLIVMNIZTP-AWEZNQCLSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 32758659
4-(3-chloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 133163003
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681167
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133235695
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92646225
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
CID 133209994
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 133186280
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125085697
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100540514

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 9262978) is 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is UXKKOLIVMNIZTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13-8-9-18(26-3)17(10-13)14(2)21-19(23)12-22(27(4,24)25)16-7-5-6-15(20)11-16/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 9262978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).