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

C16H21N3O3S2 — CID 4087394

IUPAC2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21N3O3S2/c1-2-3-7-11-19(13-15(20)18-16-17-10-12-23-16)24(21,22)14-8-5-4-6-9-14/h4-6,8-10,12H,2-3,7,11,13H2,1H3,(H,17,18,20)
InChIKeyYUEMMRDRKAXRLQ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.96
Rot. Bonds9

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

2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4087394) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4087394
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H21N3O3S2/c1-2-3-7-11-19(13-15(20)18-16-17-10-12-23-16)24(21,22)14-8-5-4-6-9-14/h4-6,8-10,12H,2-3,7,11,13H2,1H3,(H,17,18,20)
InChIKeyYUEMMRDRKAXRLQ-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 5179961
2-[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 4219105
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 4087394) is 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide is CCCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YUEMMRDRKAXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-2-3-7-11-19(13-15(20)18-16-17-10-12-23-16)24(21,22)14-8-5-4-6-9-14/h4-6,8-10,12H,2-3,7,11,13H2,1H3,(H,17,18,20).
What are the key properties of 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4087394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).