2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide

C17H21N3O4S2 — CID 171353563

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-2-9-24-14-5-3-12(4-6-14)18-16(21)10-13-11-25-17(19-13)20-26(22,23)15-7-8-15/h3-6,11,15H,2,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUZBBUOHVOLFGS-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.02
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 171353563) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID171353563
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-2-9-24-14-5-3-12(4-6-14)18-16(21)10-13-11-25-17(19-13)20-26(22,23)15-7-8-15/h3-6,11,15H,2,7-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUZBBUOHVOLFGS-UHFFFAOYSA-N
XLogP3.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
3-(2-Benzenesulfonamido-4-methyl-1,3-thiazol-5-YL)-1-(4-methoxyphenyl)urea
CID 1090482
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
4-methyl-N-(4-propoxyphenyl)-1,3-thiazol-2-amine
CID 137648841
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 857269
Ethyl 2-[2-({[4-(trifluoromethoxy)anilino]carbonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814000
N-(4-ethoxyphenyl)-2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazol-2-amine
CID 1117187
2-(2-Amino-thiazol-4-yl)-N-(2-methoxy-phenyl)-acetamide
CID 646325
2-{5-[2-(4-Ethoxy-phenylamino)-thiazol-4-ylmethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 646505
Ethyl 2-[2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2361764
N-(4-methoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide (CID 171353563) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)C3CC3)n2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is AUZBBUOHVOLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-2-9-24-14-5-3-12(4-6-14)18-16(21)10-13-11-25-17(19-13)20-26(22,23)15-7-8-15/h3-6,11,15H,2,7-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 171353563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).