5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide

C11H16N4O2S2 — CID 131934316

IUPAC5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2ncnn2C)s1
InChIInChI=1S/C11H16N4O2S2/c1-4-9-5-6-10(18-9)19(16,17)14-8(2)11-12-7-13-15(11)3/h5-8,14H,4H2,1-3H3
InChIKeyJYMWWTISWKRTMP-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.48
Rot. Bonds5

About 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 131934316) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID131934316
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)c2ncnn2C)s1
InChIInChI=1S/C11H16N4O2S2/c1-4-9-5-6-10(18-9)19(16,17)14-8(2)11-12-7-13-15(11)3/h5-8,14H,4H2,1-3H3
InChIKeyJYMWWTISWKRTMP-UHFFFAOYSA-N
XLogP1.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]benzenesulfonamide
CID 125445264
2,5-dimethyl-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 129609384
2,5-dimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 164631301
3-[(2S)-1-(3,5-dimethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 164634439
2-fluoro-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 122565959
2-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 125443104
2-fluoro-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 125443105
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)-5-ethylthiophene-2-sulfonamide
CID 18565868
4-(benzenesulfonyl)-N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 57699304
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 57699335
N-[(1-cyclopentyltetrazol-5-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 30295825
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-3-sulfonamide
CID 54883494

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 131934316) is 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC(C)c2ncnn2C)s1.
What is the InChIKey of 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is JYMWWTISWKRTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-4-9-5-6-10(18-9)19(16,17)14-8(2)11-12-7-13-15(11)3/h5-8,14H,4H2,1-3H3.
What are the key properties of 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 131934316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).