(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C18H25N5O2S — CID 7043334

IUPAC(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25N5O2S/c1-12-9-10-16(25-3)15(11-12)23-18(20-21-22-23)26-13(2)17(24)19-14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeySRNHINYQFHEZBT-ZDUSSCGKSA-N
MW375.50 g/mol
LogP2.91
Rot. Bonds6

About (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 7043334) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID7043334
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25N5O2S/c1-12-9-10-16(25-3)15(11-12)23-18(20-21-22-23)26-13(2)17(24)19-14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeySRNHINYQFHEZBT-ZDUSSCGKSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 5214277
(2R)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 11939249
N-(2,3-dimethylcyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4828596
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7449281
(2S)-N-(1-cyanocyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9329306
(2R)-N-(tert-butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9461709
(2S)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 9329282
(2S)-N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7449265
N-cyclopentyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650668
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 8682781
(2S)-N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2439020
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 51258636

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 7043334) is (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is SRNHINYQFHEZBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12-9-10-16(25-3)15(11-12)23-18(20-21-22-23)26-13(2)17(24)19-14-7-5-4-6-8-14/h9-11,13-14H,4-8H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 375.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 7043334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).