2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

C13H18N4O3S2 — CID 86266385

IUPAC2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCn1ccc(-c2ccsc2)n1)S(C)(=O)=O
InChIInChI=1S/C13H18N4O3S2/c1-16(22(2,19)20)9-13(18)14-5-7-17-6-3-12(15-17)11-4-8-21-10-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,18)
InChIKeyWSWZBBXBZZFWHW-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.62
Rot. Bonds7

About 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 86266385) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID86266385
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCn1ccc(-c2ccsc2)n1)S(C)(=O)=O
InChIInChI=1S/C13H18N4O3S2/c1-16(22(2,19)20)9-13(18)14-5-7-17-6-3-12(15-17)11-4-8-21-10-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,18)
InChIKeyWSWZBBXBZZFWHW-UHFFFAOYSA-N
XLogP0.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-ethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191217
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-thiophen-2-yl-acetyl)-o-tolyl-amino]-acetamide
CID 3191219
2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135
2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5307450
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51104598
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
CID 53499394
2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 53559384
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 56781060
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (CID 86266385) is 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is CN(CC(=O)NCCn1ccc(-c2ccsc2)n1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is WSWZBBXBZZFWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-16(22(2,19)20)9-13(18)14-5-7-17-6-3-12(15-17)11-4-8-21-10-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,18).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).