3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide

C22H28N4O5S2 — CID 134542016

IUPAC3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide
SMILESCOc1cccc(OC)c1-n1c(NS(=O)(=O)CCC(O)C2CCCC2)nnc1-c1cccs1
InChIInChI=1S/C22H28N4O5S2/c1-30-17-9-5-10-18(31-2)20(17)26-21(19-11-6-13-32-19)23-24-22(26)25-33(28,29)14-12-16(27)15-7-3-4-8-15/h5-6,9-11,13,15-16,27H,3-4,7-8,12,14H2,1-2H3,(H,24,25)
InChIKeyLQDXKIREUXJRFT-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.70
Rot. Bonds10

About 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide

3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide (PubChem CID 134542016) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide
PubChem CID134542016
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC Name3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide
SMILESCOc1cccc(OC)c1-n1c(NS(=O)(=O)CCC(O)C2CCCC2)nnc1-c1cccs1
InChIInChI=1S/C22H28N4O5S2/c1-30-17-9-5-10-18(31-2)20(17)26-21(19-11-6-13-32-19)23-24-22(26)25-33(28,29)14-12-16(27)15-7-3-4-8-15/h5-6,9-11,13,15-16,27H,3-4,7-8,12,14H2,1-2H3,(H,24,25)
InChIKeyLQDXKIREUXJRFT-UHFFFAOYSA-N
XLogP3.70
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide 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

N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-oxopropane-1-sulfonamide
CID 134542365
(1S)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol;(1R)-1-cyclopentyl-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propan-1-ol
CID 161071503
(1S,2R)-1-cyclopropyl-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-hydroxypropane-2-sulfonamide
CID 122701785
2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide
CID 134541219
N-(cyclohexylmethyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536814
N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-2-(5-fluoropyrimidin-2-yl)ethanesulfonamide
CID 134541919
(2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxy-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 122701936
(2R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 175055376
(2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
CID 122702571
N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24666013
(1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 134542207
(2R)-N-[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]-2-hydroxy-2-(5-methylpyrazin-2-yl)ethanesulfonamide
CID 126554331

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide?
The IUPAC name of 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide (CID 134542016) is 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide is COc1cccc(OC)c1-n1c(NS(=O)(=O)CCC(O)C2CCCC2)nnc1-c1cccs1.
What is the InChIKey of 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide?
The InChIKey is LQDXKIREUXJRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c1-30-17-9-5-10-18(31-2)20(17)26-21(19-11-6-13-32-19)23-24-22(26)25-33(28,29)14-12-16(27)15-7-3-4-8-15/h5-6,9-11,13,15-16,27H,3-4,7-8,12,14H2,1-2H3,(H,24,25).
What are the key properties of 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide?
3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide has a molecular weight of 492.62 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 134542016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).