N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide

C17H22ClN5O2S — CID 24519135

IUPACN-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nnnn2C2CCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN5O2S/c1-11(16(24)19-12-8-9-15(25-2)14(18)10-12)26-17-20-21-22-23(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,24)
InChIKeyKPOFRRWNZQOXHB-UHFFFAOYSA-N
MW395.92 g/mol
LogP3.96
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide

N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 24519135) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
PubChem CID24519135
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nnnn2C2CCCCC2)cc1Cl
InChIInChI=1S/C17H22ClN5O2S/c1-11(16(24)19-12-8-9-15(25-2)14(18)10-12)26-17-20-21-22-23(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,24)
InChIKeyKPOFRRWNZQOXHB-UHFFFAOYSA-N
XLogP3.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 51258636
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 46639260
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 46646680
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437973
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51258543
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 7743521
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9493741
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 41190354
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 21000004
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51244912

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (CID 24519135) is N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is COc1ccc(NC(=O)C(C)Sc2nnnn2C2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is KPOFRRWNZQOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S/c1-11(16(24)19-12-8-9-15(25-2)14(18)10-12)26-17-20-21-22-23(17)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 395.92 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 24519135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).