2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide

C21H23N3O3S2 — CID 27805787

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23N3O3S2/c1-17(2)23(15-18-9-5-3-6-10-18)20(25)16-24(21-22-13-14-28-21)29(26,27)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3
InChIKeyZPSLVMBCVOSRNF-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.78
Rot. Bonds8

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide (PubChem CID 27805787) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
PubChem CID27805787
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23N3O3S2/c1-17(2)23(15-18-9-5-3-6-10-18)20(25)16-24(21-22-13-14-28-21)29(26,27)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3
InChIKeyZPSLVMBCVOSRNF-UHFFFAOYSA-N
XLogP3.78
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132678935
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195138
(2R)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100537013
(2R)-2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-methyl-3-phenylpropanamide
CID 100656155
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]-benzylamino]-N-propan-2-ylpropanamide
CID 100640547
N-benzyl-2-(2-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154114
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]-benzylamino]-N-ethylpropanamide
CID 132681026

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide (CID 27805787) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is ZPSLVMBCVOSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-17(2)23(15-18-9-5-3-6-10-18)20(25)16-24(21-22-13-14-28-21)29(26,27)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 429.57 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 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-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 27805787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).