(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C20H28N4OS — CID 7895545

IUPAC(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C)C1CCCCC1
InChIInChI=1S/C20H28N4OS/c1-4-24(17-13-9-6-10-14-17)19(25)15(2)26-20-22-21-18(23(20)3)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeyJXVRPQNGCCRWMD-HNNXBMFYSA-N
MW372.54 g/mol
LogP4.14
Rot. Bonds6

About (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 7895545) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID7895545
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C)C1CCCCC1
InChIInChI=1S/C20H28N4OS/c1-4-24(17-13-9-6-10-14-17)19(25)15(2)26-20-22-21-18(23(20)3)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeyJXVRPQNGCCRWMD-HNNXBMFYSA-N
XLogP4.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7895544
N-cyclohexyl-N-ethyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17482680
N-benzyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51140599
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 9484439
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8939476
(2R)-N-cyclohexyl-N-ethyl-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7902694
(2S)-N-cyclohexyl-2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanyl-N-ethylpropanamide
CID 42068831
(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one
CID 40591269
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
N,N-dibenzyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16518713
N-cyclohexyl-N-ethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78762984
N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 16518606

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 7895545) is (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is JXVRPQNGCCRWMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-4-24(17-13-9-6-10-14-17)19(25)15(2)26-20-22-21-18(23(20)3)16-11-7-5-8-12-16/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 372.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-ethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 7895545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).