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

C20H27N3O6S2 — CID 28561695

IUPAC(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C20H27N3O6S2/c1-14-12-18(10-11-19(14)29-5)30(25,26)22-15(2)20(24)21-13-16-6-8-17(9-7-16)31(27,28)23(3)4/h6-12,15,22H,13H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyYSNTVJKYXLJKJA-OAHLLOKOSA-N
MW469.59 g/mol
LogP1.24
Rot. Bonds9

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

(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (PubChem CID 28561695) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
PubChem CID28561695
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC Name(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C20H27N3O6S2/c1-14-12-18(10-11-19(14)29-5)30(25,26)22-15(2)20(24)21-13-16-6-8-17(9-7-16)31(27,28)23(3)4/h6-12,15,22H,13H2,1-5H3,(H,21,24)/t15-/m1/s1
InChIKeyYSNTVJKYXLJKJA-OAHLLOKOSA-N
XLogP1.24
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]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

(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871412
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 94861716
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (CID 28561695) is (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C.
What is the InChIKey of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is YSNTVJKYXLJKJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-14-12-18(10-11-19(14)29-5)30(25,26)22-15(2)20(24)21-13-16-6-8-17(9-7-16)31(27,28)23(3)4/h6-12,15,22H,13H2,1-5H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 469.59 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28561695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).