N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide

C18H25N5O2S — CID 46640192

IUPACN-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(Cn2nnnc2SC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25N5O2S/c1-13(17(24)19-15-6-4-3-5-7-15)26-18-20-21-22-23(18)12-14-8-10-16(25-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,24)
InChIKeyCLQJSLLZAQSKGO-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.66
Rot. Bonds7

About N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide

N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide (PubChem CID 46640192) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
PubChem CID46640192
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(Cn2nnnc2SC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25N5O2S/c1-13(17(24)19-15-6-4-3-5-7-15)26-18-20-21-22-23(18)12-14-8-10-16(25-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,24)
InChIKeyCLQJSLLZAQSKGO-UHFFFAOYSA-N
XLogP2.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 26387733
(2R)-N-cyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41273589
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46639941
N-[2-(difluoromethoxy)phenyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 24519891
(2R)-N-cyclopentyl-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7555870
N-cyclopentyl-2-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3230536
N-cyclopentyl-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 42968976
(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7043334
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 41210331
(2S)-2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-3-methylbutanamide
CID 33128020
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide
CID 112781936
(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide
CID 7907283

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide (CID 46640192) is N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide is COc1ccc(Cn2nnnc2SC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is CLQJSLLZAQSKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-13(17(24)19-15-6-4-3-5-7-15)26-18-20-21-22-23(18)12-14-8-10-16(25-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,24).
What are the key properties of N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide?
N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 375.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 46640192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).