2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide

C18H17N3O3S2 — CID 17435397

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-13-15-7-3-1-4-8-15)14-21(18-19-11-12-25-18)26(23,24)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22)
InChIKeyVTETWGFQQJOVOL-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.65
Rot. Bonds7

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide (PubChem CID 17435397) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
PubChem CID17435397
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H17N3O3S2/c22-17(20-13-15-7-3-1-4-8-15)14-21(18-19-11-12-25-18)26(23,24)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22)
InChIKeyVTETWGFQQJOVOL-UHFFFAOYSA-N
XLogP2.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1137711
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 2897415
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide (CID 17435397) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide is O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide?
The InChIKey is VTETWGFQQJOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17(20-13-15-7-3-1-4-8-15)14-21(18-19-11-12-25-18)26(23,24)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide has a molecular weight of 387.49 g/mol, XLogP of 2.65, 7 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-benzylacetamide is sourced from PubChem (CID 17435397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).