5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide

C41H44ClFN6O3S2 — CID 160876659

IUPAC5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1.O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H23ClFN3O2S.C17H21N3OS/c25-20-12-17(6-7-21(20)26)23(30)28-22-13-18(15-32-22)24(31)27-19-8-10-29(11-9-19)14-16-4-2-1-3-5-16;18-16-10-14(12-22-16)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-7,12-13,15,19H,8-11,14H2,(H,27,31)(H,28,30);1-5,10,12,15H,6-9,11,18H2,(H,19,21)
InChIKeySMMGBBOZPYDJGH-UHFFFAOYSA-N
MW787.43 g/mol
LogP7.91
Rot. Bonds10

About 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide

5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 160876659) has the molecular formula C41H44ClFN6O3S2 and a molecular weight of 787.43 g/mol. Its IUPAC name is 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide
PubChem CID160876659
Molecular FormulaC41H44ClFN6O3S2
Molecular Weight787.43 g/mol
Exact Mass786.26
IUPAC Name5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1.O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H23ClFN3O2S.C17H21N3OS/c25-20-12-17(6-7-21(20)26)23(30)28-22-13-18(15-32-22)24(31)27-19-8-10-29(11-9-19)14-16-4-2-1-3-5-16;18-16-10-14(12-22-16)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-7,12-13,15,19H,8-11,14H2,(H,27,31)(H,28,30);1-5,10,12,15H,6-9,11,18H2,(H,19,21)
InChIKeySMMGBBOZPYDJGH-UHFFFAOYSA-N
XLogP7.91
TPSA119.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.43
LogP ≤ 57.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]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

Related Compounds

N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
N-(1-benzylpiperidin-4-yl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55787262
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide (CID 160876659) is 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide is Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1.O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is SMMGBBOZPYDJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2S.C17H21N3OS/c25-20-12-17(6-7-21(20)26)23(30)28-22-13-18(15-32-22)24(31)27-19-8-10-29(11-9-19)14-16-4-2-1-3-5-16;18-16-10-14(12-22-16)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-7,12-13,15,19H,8-11,14H2,(H,27,31)(H,28,30);1-5,10,12,15H,6-9,11,18H2,(H,19,21).
What are the key properties of 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide?
5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 787.43 g/mol, XLogP of 7.91, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-benzylpiperidin-4-yl)thiophene-3-carboxamide;N-(1-benzylpiperidin-4-yl)-5-[(3-chloro-4-fluorobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 160876659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).