3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide

C17H23N3O4S2 — CID 26369597

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H23N3O4S2/c1-12(2)19(4)26(23,24)15-7-5-14(6-8-15)18-16(21)9-10-20-13(3)11-25-17(20)22/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)
InChIKeyPFQJDUSHBHBRQM-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.28
Rot. Bonds7

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 26369597) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID26369597
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H23N3O4S2/c1-12(2)19(4)26(23,24)15-7-5-14(6-8-15)18-16(21)9-10-20-13(3)11-25-17(20)22/h5-8,11-12H,9-10H2,1-4H3,(H,18,21)
InChIKeyPFQJDUSHBHBRQM-UHFFFAOYSA-N
XLogP2.28
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
methyl 2-[[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzoyl]amino]acetate
CID 46538899
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 39969633
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38921105
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 27162002
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide (CID 26369597) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide is Cc1csc(=O)n1CCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is PFQJDUSHBHBRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-12(2)19(4)26(23,24)15-7-5-14(6-8-15)18-16(21)9-10-20-13(3)11-25-17(20)22/h5-8,11-12H,9-10H2,1-4H3,(H,18,21).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 26369597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).