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

C9H11N5O3S2 — CID 30865647

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ncn[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H11N5O3S2/c1-14(19(16,17)8-3-2-4-18-8)5-7(15)12-9-10-6-11-13-9/h2-4,6H,5H2,1H3,(H2,10,11,12,13,15)
InChIKeyUURWGYNAXMWHPH-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.13
Rot. Bonds5

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

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30865647) has the molecular formula C9H11N5O3S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30865647
Molecular FormulaC9H11N5O3S2
Molecular Weight301.35 g/mol
Exact Mass301.03
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ncn[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H11N5O3S2/c1-14(19(16,17)8-3-2-4-18-8)5-7(15)12-9-10-6-11-13-9/h2-4,6H,5H2,1H3,(H2,10,11,12,13,15)
InChIKeyUURWGYNAXMWHPH-UHFFFAOYSA-N
XLogP0.13
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64531805
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30863985
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-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30865647) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide is CN(CC(=O)Nc1ncn[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is UURWGYNAXMWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S2/c1-14(19(16,17)8-3-2-4-18-8)5-7(15)12-9-10-6-11-13-9/h2-4,6H,5H2,1H3,(H2,10,11,12,13,15).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30865647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).