N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide

C25H25F2N3O2S — CID 23769883

IUPACN-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C25H25F2N3O2S/c26-18-12-17(13-19(27)14-18)25(32)30(22-9-5-20(28)6-10-22)15-16-3-7-21(8-4-16)29-24(31)23-2-1-11-33-23/h1-4,7-8,11-14,20,22H,5-6,9-10,15,28H2,(H,29,31)
InChIKeyWDMVCGYSJIZJRY-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.19
Rot. Bonds6

About N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide

N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 23769883) has the molecular formula C25H25F2N3O2S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID23769883
Molecular FormulaC25H25F2N3O2S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC NameN-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C25H25F2N3O2S/c26-18-12-17(13-19(27)14-18)25(32)30(22-9-5-20(28)6-10-22)15-16-3-7-21(8-4-16)29-24(31)23-2-1-11-33-23/h1-4,7-8,11-14,20,22H,5-6,9-10,15,28H2,(H,29,31)
InChIKeyWDMVCGYSJIZJRY-UHFFFAOYSA-N
XLogP5.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23734806
N-[2-chloro-5-[cyclopropyl-[(4-fluorophenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 26072826
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
CID 23913041
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-(4-aminocyclohexyl)-3,5-difluoro-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide
CID 23995638
N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 30806659
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[4-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23937548
N-[3-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23913264

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 23769883) is N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide is NC1CCC(N(Cc2ccc(NC(=O)c3cccs3)cc2)C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WDMVCGYSJIZJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2S/c26-18-12-17(13-19(27)14-18)25(32)30(22-9-5-20(28)6-10-22)15-16-3-7-21(8-4-16)29-24(31)23-2-1-11-33-23/h1-4,7-8,11-14,20,22H,5-6,9-10,15,28H2,(H,29,31).
What are the key properties of N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide?
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23769883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).