2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H23N3O4S2 — CID 4625146

IUPAC2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)CC(C)C)cc1
InChIInChI=1S/C17H23N3O4S2/c1-12(2)9-20(10-16(21)19-17-18-13(3)11-25-17)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyWHOQIIBUAXRCRN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.75
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4625146) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4625146
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)CC(C)C)cc1
InChIInChI=1S/C17H23N3O4S2/c1-12(2)9-20(10-16(21)19-17-18-13(3)11-25-17)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21)
InChIKeyWHOQIIBUAXRCRN-UHFFFAOYSA-N
XLogP2.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4247188
2-[2-(dimethylamino)ethyl-(4-nitrophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3369626
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 5009561
N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 814209
2-[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 4219105
methyl 2-methyl-3-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoate
CID 62004523
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667
[(2R)-1-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamic acid
CID 142824566

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4625146) is 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(C)cs2)CC(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WHOQIIBUAXRCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-12(2)9-20(10-16(21)19-17-18-13(3)11-25-17)26(22,23)15-7-5-14(24-4)6-8-15/h5-8,11-12H,9-10H2,1-4H3,(H,18,19,21).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4625146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).