2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

C19H24ClN3O3S — CID 18093868

IUPAC2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1
InChIInChI=1S/C19H24ClN3O3S/c1-14(23(4)13-15-8-6-5-7-9-15)19(24)21-16-10-11-17(20)18(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyZFIBPJMMMXQLJO-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.05
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 18093868) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID18093868
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1
InChIInChI=1S/C19H24ClN3O3S/c1-14(23(4)13-15-8-6-5-7-9-15)19(24)21-16-10-11-17(20)18(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24)
InChIKeyZFIBPJMMMXQLJO-UHFFFAOYSA-N
XLogP3.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886900
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]propanamide
CID 112798578
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 3972790
(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 9460403
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (CID 18093868) is 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is ZFIBPJMMMXQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-14(23(4)13-15-8-6-5-7-9-15)19(24)21-16-10-11-17(20)18(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24).
What are the key properties of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 409.94 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 18093868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).