(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide

C25H30N4OS — CID 40649984

IUPAC(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1
InChIInChI=1S/C25H30N4OS/c1-3-28-23(20-13-7-4-8-14-20)26-27-25(28)31-19(2)24(30)29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-20H,3-4,7-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyDYYGCXRTUMVUBV-LJQANCHMSA-N
MW434.61 g/mol
LogP6.19
Rot. Bonds7

About (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide

(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide (PubChem CID 40649984) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide
PubChem CID40649984
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC Name(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1
InChIInChI=1S/C25H30N4OS/c1-3-28-23(20-13-7-4-8-14-20)26-27-25(28)31-19(2)24(30)29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-20H,3-4,7-8,13-14H2,1-2H3/t19-/m1/s1
InChIKeyDYYGCXRTUMVUBV-LJQANCHMSA-N
XLogP6.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 865741
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 3167221
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 21373939
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 8959812
(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 8724345
(2S)-1-(4-benzylpiperidin-1-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 8959865
(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 8723904
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(dimethylamino)phenyl]propanamide
CID 51209777
(2R)-2-[[5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylpropanamide
CID 40649987
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8959853
(2S)-N-cyclopropyl-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378100
(2R)-N-(2-acetylphenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8959860

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide?
The IUPAC name of (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide (CID 40649984) is (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide.
What is the SMILES notation for (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide?
The canonical SMILES for (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide is CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1.
What is the InChIKey of (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide?
The InChIKey is DYYGCXRTUMVUBV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-3-28-23(20-13-7-4-8-14-20)26-27-25(28)31-19(2)24(30)29(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h5-6,9-12,15-20H,3-4,7-8,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide?
(2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide has a molecular weight of 434.61 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide is sourced from PubChem (CID 40649984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).