N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C12H16N4O3S2 — CID 115594805

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H16N4O3S2/c1-8-9(2)14-15-12(8)13-10(17)7-16(3)21(18,19)11-5-4-6-20-11/h4-6H,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyHDKWLGISBIJUEB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.35
Rot. Bonds5

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 115594805) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID115594805
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C12H16N4O3S2/c1-8-9(2)14-15-12(8)13-10(17)7-16(3)21(18,19)11-5-4-6-20-11/h4-6H,7H2,1-3H3,(H2,13,14,15,17)
InChIKeyHDKWLGISBIJUEB-UHFFFAOYSA-N
XLogP1.35
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 115594805) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is HDKWLGISBIJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-8-9(2)14-15-12(8)13-10(17)7-16(3)21(18,19)11-5-4-6-20-11/h4-6H,7H2,1-3H3,(H2,13,14,15,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 115594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).