4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C25H23Cl3N4O3S — CID 18376659

IUPAC4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
InChIInChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
InChIKeyPRXYXBVCYQVJNW-UHFFFAOYSA-N
MW565.91 g/mol
LogP5.88
Rot. Bonds6

About 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide

4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18376659) has the molecular formula C25H23Cl3N4O3S and a molecular weight of 565.91 g/mol. Its IUPAC name is 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID18376659
Molecular FormulaC25H23Cl3N4O3S
Molecular Weight565.91 g/mol
Exact Mass564.06
IUPAC Name4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
InChIInChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
InChIKeyPRXYXBVCYQVJNW-UHFFFAOYSA-N
XLogP5.88
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.91
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]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

3-Chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
CID 447193
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfinylmethyl)thiophene-2-carboxamide
CID 10028986
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(dimethylamino)propyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376642
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-{[(2-hydroxyethyl)(methyl)amino]methyl}thiophene-2-carboxamide
CID 18376669
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(diethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376719
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376832
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(methylsulfanyl)methyl]thiophene-2-carboxamide
CID 18376839
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-{[methyl(1-methylpiperidin-4-yl)amino]methyl}thiophene-2-carboxamide
CID 18376905
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({methyl[2-(pyrrolidin-1-yl)ethyl]amino}methyl)thiophene-2-carboxamide
CID 18376973
N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
CID 10481025
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376562
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376605

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 18376659) is 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1.
What is the InChIKey of 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PRXYXBVCYQVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35).
What are the key properties of 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 565.91 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazin-1-yl)methyl]-3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18376659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).