3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide

C25H25Cl3N4O2S — CID 18376656

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CCN(C)CC1
InChIInChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyINKAAAVRNUCZBR-UHFFFAOYSA-N
MW551.93 g/mol
LogP6.27
Rot. Bonds6

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 18376656) has the molecular formula C25H25Cl3N4O2S and a molecular weight of 551.93 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
PubChem CID18376656
Molecular FormulaC25H25Cl3N4O2S
Molecular Weight551.93 g/mol
Exact Mass550.08
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CCN(C)CC1
InChIInChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyINKAAAVRNUCZBR-UHFFFAOYSA-N
XLogP6.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.93
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]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)carbamoyl]phenyl]-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 18377006
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-fluoro-5-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 18376966
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-formylthiophene-2-carboxamide
CID 18376694
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55762515
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-(methylsulfanylmethoxy)phenyl]-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide
CID 18376650
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-[2-(dimethylamino)ethylsulfinylmethyl]thiophene-2-carboxamide
CID 18376860

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide (CID 18376656) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide is Cc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CCN(C)CC1.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is INKAAAVRNUCZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 551.93 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18376656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).