3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide

C25H20Cl3N3O2S — CID 18376959

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C25H20Cl3N3O2S/c1-31(2)13-14-3-9-18-21(11-14)34-23(22(18)28)25(33)30-20-10-6-16(27)12-19(20)24(32)29-17-7-4-15(26)5-8-17/h3-12H,13H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyMQKQSGLRSREOQS-UHFFFAOYSA-N
MW532.88 g/mol
LogP7.43
Rot. Bonds6

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 18376959) has the molecular formula C25H20Cl3N3O2S and a molecular weight of 532.88 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
PubChem CID18376959
Molecular FormulaC25H20Cl3N3O2S
Molecular Weight532.88 g/mol
Exact Mass531.03
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C25H20Cl3N3O2S/c1-31(2)13-14-3-9-18-21(11-14)34-23(22(18)28)25(33)30-20-10-6-16(27)12-19(20)24(32)29-17-7-4-15(26)5-8-17/h3-12H,13H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyMQKQSGLRSREOQS-UHFFFAOYSA-N
XLogP7.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-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}-1-benzothiophene-2-carboxamide
CID 10073666
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-[[(4-chlorophenyl)amino]carbonyl]-4-methylphenyl]-
CID 10411684
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-(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}-6-methyl-1-benzothiophene-2-carboxamide
CID 18376901
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-methyl-1-benzothiophene-2-carboxamide
CID 18377048
3-chloro-N-(2-((4-fluorophenyl)carbamoyl)-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 2796875

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide (CID 18376959) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide is CN(C)Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is MQKQSGLRSREOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl3N3O2S/c1-31(2)13-14-3-9-18-21(11-14)34-23(22(18)28)25(33)30-20-10-6-16(27)12-19(20)24(32)29-17-7-4-15(26)5-8-17/h3-12H,13H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 532.88 g/mol, XLogP of 7.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-[(dimethylamino)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).