3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide

C26H29Cl3N4O2S — CID 18376919

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide
SMILESCCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
InChIInChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyFWTSOYMNLPZPPX-UHFFFAOYSA-N
MW567.97 g/mol
LogP7.21
Rot. Bonds12

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide (PubChem CID 18376919) has the molecular formula C26H29Cl3N4O2S and a molecular weight of 567.97 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide
PubChem CID18376919
Molecular FormulaC26H29Cl3N4O2S
Molecular Weight567.97 g/mol
Exact Mass566.11
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide
SMILESCCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
InChIInChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyFWTSOYMNLPZPPX-UHFFFAOYSA-N
XLogP7.21
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.97
LogP ≤ 57.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)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}-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-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}-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide (CID 18376919) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide is CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide?
The InChIKey is FWTSOYMNLPZPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide has a molecular weight of 567.97 g/mol, XLogP of 7.21, 12 rotatable bonds, 4 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]-4,5-bis(propylaminomethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18376919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).