(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

C20H27N3O3S — CID 8517487

IUPAC(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15-9-11-17(12-10-15)14-23(5)16(2)20(24)21-18-7-6-8-19(13-18)27(25,26)22(3)4/h6-13,16H,14H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyACKWZAYVXGDUJZ-MRXNPFEDSA-N
MW389.52 g/mol
LogP2.70
Rot. Bonds7

About (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 8517487) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID8517487
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15-9-11-17(12-10-15)14-23(5)16(2)20(24)21-18-7-6-8-19(13-18)27(25,26)22(3)4/h6-13,16H,14H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyACKWZAYVXGDUJZ-MRXNPFEDSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide 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

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
N-[1-[3-(dimethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55343497
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568279
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 167781077
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 8647619

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (CID 8517487) is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is ACKWZAYVXGDUJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-9-11-17(12-10-15)14-23(5)16(2)20(24)21-18-7-6-8-19(13-18)27(25,26)22(3)4/h6-13,16H,14H2,1-5H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 389.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).