2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

C17H23N3O3S2 — CID 110620243

IUPAC2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1ccc(NS(=O)(=O)CC(C)C(=O)NCCc2csc(C)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-12-4-6-15(7-5-12)20-25(22,23)11-13(2)17(21)18-9-8-16-10-24-14(3)19-16/h4-7,10,13,20H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyOKMXGZFCLIQGNQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.50
Rot. Bonds8

About 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110620243) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110620243
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1ccc(NS(=O)(=O)CC(C)C(=O)NCCc2csc(C)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-12-4-6-15(7-5-12)20-25(22,23)11-13(2)17(21)18-9-8-16-10-24-14(3)19-16/h4-7,10,13,20H,8-9,11H2,1-3H3,(H,18,21)
InChIKeyOKMXGZFCLIQGNQ-UHFFFAOYSA-N
XLogP2.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 103776250
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110620243) is 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1ccc(NS(=O)(=O)CC(C)C(=O)NCCc2csc(C)n2)cc1.
What is the InChIKey of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is OKMXGZFCLIQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-12-4-6-15(7-5-12)20-25(22,23)11-13(2)17(21)18-9-8-16-10-24-14(3)19-16/h4-7,10,13,20H,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110620243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).