2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

C17H23N5O3S — CID 1440805

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(OC)c1
InChIInChI=1S/C17H23N5O3S/c1-24-13-8-9-14(15(10-13)25-2)18-16(23)11-26-17-19-20-21-22(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,23)
InChIKeyQRRALSULLYVSQR-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.93
Rot. Bonds7

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 1440805) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID1440805
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(OC)c1
InChIInChI=1S/C17H23N5O3S/c1-24-13-8-9-14(15(10-13)25-2)18-16(23)11-26-17-19-20-21-22(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,23)
InChIKeyQRRALSULLYVSQR-UHFFFAOYSA-N
XLogP2.93
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)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

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 796220
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
N-(2,4-Dimethoxy-phenyl)-2-(3-methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-acetamide
CID 6492792
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
2-[1-(2,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 652400

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide (CID 1440805) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(OC)c1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is QRRALSULLYVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-24-13-8-9-14(15(10-13)25-2)18-16(23)11-26-17-19-20-21-22(17)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,18,23).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1440805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).