3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C18H17N3O3S2 — CID 1115153

IUPAC3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h1-5,7-10,12-13H,6,11H2,(H,19,21)(H,20,22)
InChIKeyGSQLMPWOXGTXKP-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.52
Rot. Bonds7

About 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1115153) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1115153
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h1-5,7-10,12-13H,6,11H2,(H,19,21)(H,20,22)
InChIKeyGSQLMPWOXGTXKP-UHFFFAOYSA-N
XLogP3.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylsulfathiazole
CID 67183
2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
3-CL-N-(4-((1,3-Thiazol-2-ylamino)sulfonyl)PH)-1-benzothiophene-2-carboxamide
CID 1570183
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 784406
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2105710
3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 1080629

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 1115153) is 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is GSQLMPWOXGTXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17(11-6-14-4-2-1-3-5-14)20-15-7-9-16(10-8-15)26(23,24)21-18-19-12-13-25-18/h1-5,7-10,12-13H,6,11H2,(H,19,21)(H,20,22).
What are the key properties of 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 387.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1115153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).