2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C12H16N4O3S2 — CID 103855895

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cccs1)c1cn[nH]c1
InChIInChI=1S/C12H16N4O3S2/c1-9(10-6-13-14-7-10)15-11(17)8-16(2)21(18,19)12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyQFBRRTLERFNYBK-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.97
Rot. Bonds6

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103855895) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103855895
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cccs1)c1cn[nH]c1
InChIInChI=1S/C12H16N4O3S2/c1-9(10-6-13-14-7-10)15-11(17)8-16(2)21(18,19)12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyQFBRRTLERFNYBK-UHFFFAOYSA-N
XLogP0.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 79255670
N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115770771
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43901770
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
CID 62696486

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103855895) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1cccs1)c1cn[nH]c1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is QFBRRTLERFNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-9(10-6-13-14-7-10)15-11(17)8-16(2)21(18,19)12-4-3-5-20-12/h3-7,9H,8H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103855895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).