N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H15N5O2S — CID 3916392

IUPACN-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyYYYRWXOOCWTVJO-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.34
Rot. Bonds6

About N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 3916392) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID3916392
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2nnnn2C)cc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyYYYRWXOOCWTVJO-UHFFFAOYSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
N-(1,3-benzodioxol-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861220
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(2-Methoxyphenyl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide
CID 2254375
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 707638
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
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 3916392) is N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is COc1ccc(NC(=O)CCSc2nnnn2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is YYYRWXOOCWTVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 293.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 3916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).