3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide

C19H23ClN2O3S — CID 133255244

IUPAC3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCc1ccc(N(C)C(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-10-17(11-14(13)2)22(3)19(23)12-18(21-26(4,24)25)15-6-8-16(20)9-7-15/h5-11,18,21H,12H2,1-4H3
InChIKeyPMTBWUJYJJSFLN-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide

3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 133255244) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
PubChem CID133255244
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCc1ccc(N(C)C(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-13-5-10-17(11-14(13)2)22(3)19(23)12-18(21-26(4,24)25)15-6-8-16(20)9-7-15/h5-11,18,21H,12H2,1-4H3
InChIKeyPMTBWUJYJJSFLN-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255242
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
(3S)-N-butyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783583
(3S)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100783355
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide (CID 133255244) is 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide is Cc1ccc(N(C)C(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is PMTBWUJYJJSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-5-10-17(11-14(13)2)22(3)19(23)12-18(21-26(4,24)25)15-6-8-16(20)9-7-15/h5-11,18,21H,12H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide?
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide has a molecular weight of 394.92 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 133255244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).