N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C24H20FN5O2S — CID 46510714

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C24H20FN5O2S/c25-17-5-2-7-19(13-17)30-22(20-8-3-11-33-20)28-21(29-30)24(32)26-14-15-4-1-6-18(12-15)27-23(31)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,32)(H,27,31)
InChIKeyIUNHKOABMDJJNB-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.41
Rot. Bonds7

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 46510714) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID46510714
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C24H20FN5O2S/c25-17-5-2-7-19(13-17)30-22(20-8-3-11-33-20)28-21(29-30)24(32)26-14-15-4-1-6-18(12-15)27-23(31)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,32)(H,27,31)
InChIKeyIUNHKOABMDJJNB-UHFFFAOYSA-N
XLogP4.41
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-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-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 46510714) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is O=C(NCc1cccc(NC(=O)C2CC2)c1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is IUNHKOABMDJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c25-17-5-2-7-19(13-17)30-22(20-8-3-11-33-20)28-21(29-30)24(32)26-14-15-4-1-6-18(12-15)27-23(31)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,32)(H,27,31).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 46510714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).