N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H17ClN4O3S — CID 24673786

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nncn2C2CC2)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-22-12-6-11(13(23-2)5-10(12)16)18-14(21)7-24-15-19-17-8-20(15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyAMVTVHURIUMAPE-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.01
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 24673786) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID24673786
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1cc(NC(=O)CSc2nncn2C2CC2)c(OC)cc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-22-12-6-11(13(23-2)5-10(12)16)18-14(21)7-24-15-19-17-8-20(15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyAMVTVHURIUMAPE-UHFFFAOYSA-N
XLogP3.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 24673786) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1cc(NC(=O)CSc2nncn2C2CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AMVTVHURIUMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-22-12-6-11(13(23-2)5-10(12)16)18-14(21)7-24-15-19-17-8-20(15)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 368.85 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24673786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).