2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide

C19H27N3O3S2 — CID 25494444

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@H](C)NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H27N3O3S2/c1-15(2)8-7-9-16(3)21-18(23)14-22(19-20-12-13-26-19)27(24,25)17-10-5-4-6-11-17/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyYUJLGAMDXCBABC-INIZCTEOSA-N
MW409.58 g/mol
LogP3.67
Rot. Bonds10

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide (PubChem CID 25494444) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
PubChem CID25494444
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@H](C)NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H27N3O3S2/c1-15(2)8-7-9-16(3)21-18(23)14-22(19-20-12-13-26-19)27(24,25)17-10-5-4-6-11-17/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyYUJLGAMDXCBABC-INIZCTEOSA-N
XLogP3.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]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

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
CID 17435397
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
CID 8537714
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133240413
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433928
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
CID 2271697
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 126275595

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide (CID 25494444) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide is CC(C)CCC[C@H](C)NC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide?
The InChIKey is YUJLGAMDXCBABC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-15(2)8-7-9-16(3)21-18(23)14-22(19-20-12-13-26-19)27(24,25)17-10-5-4-6-11-17/h4-6,10-13,15-16H,7-9,14H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide has a molecular weight of 409.58 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 25494444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).