2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C18H22N4O3S — CID 164995489

IUPAC2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C18H22N4O3S/c1-2-22-10-17(20-21-22)26(24,25)11-16(23)19-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-10H,2-8,11H2,1H3,(H,19,23)
InChIKeyYLRVWCSOVWQBDI-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.69
Rot. Bonds5

About 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 164995489) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID164995489
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESCCn1cc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C18H22N4O3S/c1-2-22-10-17(20-21-22)26(24,25)11-16(23)19-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-10H,2-8,11H2,1H3,(H,19,23)
InChIKeyYLRVWCSOVWQBDI-UHFFFAOYSA-N
XLogP1.69
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)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

CID 175710616
CID 175710616
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
CID 159951214
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)sulfonylacetamide
CID 147824215
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpyrimidin-2-yl)sulfonylacetamide
CID 160586912
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146610658
1-[amino-(1-ethylpyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146612068
1-(1-ethyl-4-fluoropyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166572760
2-(1-ethylpyrrolidin-3-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 160510122
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-prop-1-en-2-ylfuran-2-yl)sulfonylacetamide
CID 159213474
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
1-ethyl-N-(5-methoxy-2,3-dihydro-1H-inden-4-yl)triazole-4-carboxamide
CID 138989358
2-[4-(2-aminoethyl)phenyl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 158601454

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 164995489) is 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is CCn1cc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is YLRVWCSOVWQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-22-10-17(20-21-22)26(24,25)11-16(23)19-18-14-7-3-5-12(14)9-13-6-4-8-15(13)18/h9-10H,2-8,11H2,1H3,(H,19,23).
What are the key properties of 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 164995489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).