N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide

C18H23N5OS — CID 71463202

IUPACN-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
SMILESC[C@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1
InChIInChI=1S/C18H23N5OS/c1-13(10-19)23-11-16(21-22-23)18(2,15-6-4-3-5-7-15)20-17(24)14-8-9-25-12-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyQSSXYXPPWDSHCS-ACJLOTCBSA-N
MW357.48 g/mol
LogP3.65
Rot. Bonds5

About N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide

N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide (PubChem CID 71463202) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
PubChem CID71463202
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
SMILESC[C@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1
InChIInChI=1S/C18H23N5OS/c1-13(10-19)23-11-16(21-22-23)18(2,15-6-4-3-5-7-15)20-17(24)14-8-9-25-12-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyQSSXYXPPWDSHCS-ACJLOTCBSA-N
XLogP3.65
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide (CID 71463202) is N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide is C[C@H](C#N)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1.
What is the InChIKey of N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide?
The InChIKey is QSSXYXPPWDSHCS-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-13(10-19)23-11-16(21-22-23)18(2,15-6-4-3-5-7-15)20-17(24)14-8-9-25-12-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,20,24)/t13-,18+/m1/s1.
What are the key properties of N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide?
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71463202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).