2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

C16H15N3O3S3 — CID 17455908

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C16H15N3O3S3/c20-15(18-11-13-5-4-9-23-13)12-19(16-17-8-10-24-16)25(21,22)14-6-2-1-3-7-14/h1-10H,11-12H2,(H,18,20)
InChIKeyAKFUKBNRHXMYNK-UHFFFAOYSA-N
MW393.52 g/mol
LogP2.72
Rot. Bonds7

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17455908) has the molecular formula C16H15N3O3S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17455908
Molecular FormulaC16H15N3O3S3
Molecular Weight393.52 g/mol
Exact Mass393.03
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C16H15N3O3S3/c20-15(18-11-13-5-4-9-23-13)12-19(16-17-8-10-24-16)25(21,22)14-6-2-1-3-7-14/h1-10H,11-12H2,(H,18,20)
InChIKeyAKFUKBNRHXMYNK-UHFFFAOYSA-N
XLogP2.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4787744
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24598704
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24537823
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 17455908) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1cccs1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AKFUKBNRHXMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S3/c20-15(18-11-13-5-4-9-23-13)12-19(16-17-8-10-24-16)25(21,22)14-6-2-1-3-7-14/h1-10H,11-12H2,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 393.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17455908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).