(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

C13H19N3O3S2 — CID 95287154

IUPAC(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3S2/c1-10-5-4-6-11(7-10)14-13(17)12-8-20-9-16(12)21(18,19)15(2)3/h4-7,12H,8-9H2,1-3H3,(H,14,17)/t12-/m0/s1
InChIKeyYATMTWAQYIFFMA-LBPRGKRZSA-N
MW329.45 g/mol
LogP1.11
Rot. Bonds4

About (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95287154) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95287154
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3S2/c1-10-5-4-6-11(7-10)14-13(17)12-8-20-9-16(12)21(18,19)15(2)3/h4-7,12H,8-9H2,1-3H3,(H,14,17)/t12-/m0/s1
InChIKeyYATMTWAQYIFFMA-LBPRGKRZSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
3-[2-methoxyethyl(methyl)sulfamoyl]-N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 75463441
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15944827
2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
(3S)-2-(benzenesulfonyl)-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075317
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
(2S)-N-[3-(3-methylphenyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 25365977
methyl 3-[[3-(5-methyl-2-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
CID 166597050

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 95287154) is (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)N(C)C)c1.
What is the InChIKey of (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YATMTWAQYIFFMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-10-5-4-6-11(7-10)14-13(17)12-8-20-9-16(12)21(18,19)15(2)3/h4-7,12H,8-9H2,1-3H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95287154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).