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

C11H15N5O3S2 — CID 64531805

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ncn[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N5O3S2/c1-16(21(18,19)11-3-2-6-20-11)7-10(17)12-5-4-9-13-8-14-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPHRZGWXJAHKBGA-UHFFFAOYSA-N
MW329.41 g/mol
LogP-0.15
Rot. Bonds7

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

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64531805) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64531805
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ncn[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N5O3S2/c1-16(21(18,19)11-3-2-6-20-11)7-10(17)12-5-4-9-13-8-14-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyPHRZGWXJAHKBGA-UHFFFAOYSA-N
XLogP-0.15
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113181
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113796

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64531805) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CN(CC(=O)NCCc1ncn[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is PHRZGWXJAHKBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-16(21(18,19)11-3-2-6-20-11)7-10(17)12-5-4-9-13-8-14-15-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 329.41 g/mol, XLogP of -0.15, 7 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-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64531805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).