N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide

C19H23ClN2O3S — CID 113154527

IUPACN-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
SMILESCc1cccc(C(C)C)c1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)17-10-5-7-14(3)19(17)22(26(4,24)25)12-18(23)21-16-9-6-8-15(20)11-16/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyAMEHMQYSZNLPOO-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.18
Rot. Bonds6

About N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide

N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide (PubChem CID 113154527) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
PubChem CID113154527
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
SMILESCc1cccc(C(C)C)c1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)17-10-5-7-14(3)19(17)22(26(4,24)25)12-18(23)21-16-9-6-8-15(20)11-16/h5-11,13H,12H2,1-4H3,(H,21,23)
InChIKeyAMEHMQYSZNLPOO-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 2898694
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
N-(3,5-dichlorophenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30261658
ethyl 2-chloro-5-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30393496

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide (CID 113154527) is N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide is Cc1cccc(C(C)C)c1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide?
The InChIKey is AMEHMQYSZNLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)17-10-5-7-14(3)19(17)22(26(4,24)25)12-18(23)21-16-9-6-8-15(20)11-16/h5-11,13H,12H2,1-4H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide?
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide has a molecular weight of 394.92 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide is sourced from PubChem (CID 113154527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).