N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C29H27N3O2S — CID 4948035

IUPACN-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C29H27N3O2S/c33-28(26-16-9-21-35-26)30-25-15-8-7-14-24(25)29(34)32-19-17-31(18-20-32)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,21,27H,17-20H2,(H,30,33)
InChIKeyDTGJCQIVJYPVFW-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.55
Rot. Bonds6

About N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 4948035) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID4948035
Molecular FormulaC29H27N3O2S
Molecular Weight481.62 g/mol
Exact Mass481.18
IUPAC NameN-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C29H27N3O2S/c33-28(26-16-9-21-35-26)30-25-15-8-7-14-24(25)29(34)32-19-17-31(18-20-32)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,21,27H,17-20H2,(H,30,33)
InChIKeyDTGJCQIVJYPVFW-UHFFFAOYSA-N
XLogP5.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzhydrylpiperazine-1-carbonyl)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-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 4930482
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4948037
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4948227
N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 46536303
(E)-N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 17271699
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-methylbenzamide
CID 4948233
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4933178

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 4948035) is N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is DTGJCQIVJYPVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c33-28(26-16-9-21-35-26)30-25-15-8-7-14-24(25)29(34)32-19-17-31(18-20-32)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,21,27H,17-20H2,(H,30,33).
What are the key properties of N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4948035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).