3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide

C22H15Cl3N4O2S — CID 18376827

IUPAC3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C22H15Cl3N4O2S/c23-13-1-4-15(5-2-13)27-21(30)17-9-14(24)3-6-19(17)28-22(31)20-18(25)10-16(32-20)11-29-8-7-26-12-29/h1-10,12H,11H2,(H,27,30)(H,28,31)
InChIKeyNYTXQSBCDGIIBX-UHFFFAOYSA-N
MW505.81 g/mol
LogP6.46
Rot. Bonds6

About 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide (PubChem CID 18376827) has the molecular formula C22H15Cl3N4O2S and a molecular weight of 505.81 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide
PubChem CID18376827
Molecular FormulaC22H15Cl3N4O2S
Molecular Weight505.81 g/mol
Exact Mass504.00
IUPAC Name3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C22H15Cl3N4O2S/c23-13-1-4-15(5-2-13)27-21(30)17-9-14(24)3-6-19(17)28-22(31)20-18(25)10-16(32-20)11-29-8-7-26-12-29/h1-10,12H,11H2,(H,27,30)(H,28,31)
InChIKeyNYTXQSBCDGIIBX-UHFFFAOYSA-N
XLogP6.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.81
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)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-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376618
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-1,2,3-triazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376882
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)thiophene-2-carboxamide
CID 18376921
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-1,2,4-triazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376976
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11248439
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 11397605
5-chloro-N-(3-imidazol-1-ylpropyl)-2-(prop-2-enylamino)benzamide
CID 13588961
5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide
CID 44530428
5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 164614677
5-(3-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 164619768
5-(2-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 164620443
5-(4-chlorophenyl)-N-(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 164627001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide (CID 18376827) is 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1sc(Cn2ccnc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NYTXQSBCDGIIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N4O2S/c23-13-1-4-15(5-2-13)27-21(30)17-9-14(24)3-6-19(17)28-22(31)20-18(25)10-16(32-20)11-29-8-7-26-12-29/h1-10,12H,11H2,(H,27,30)(H,28,31).
What are the key properties of 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide?
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-(imidazol-1-ylmethyl)thiophene-2-carboxamide has a molecular weight of 505.81 g/mol, XLogP of 6.46, 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-(imidazol-1-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18376827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).