4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

C17H12Cl2N2O2S — CID 1491157

IUPAC4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1
InChIInChI=1S/C17H12Cl2N2O2S/c18-12-4-1-5-13(19)15(12)16(22)10-7-14(20-8-10)17(23)21-9-11-3-2-6-24-11/h1-8,20H,9H2,(H,21,23)
InChIKeyOSVNSMJGPXYEBY-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.54
Rot. Bonds5

About 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1491157) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1491157
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1
InChIInChI=1S/C17H12Cl2N2O2S/c18-12-4-1-5-13(19)15(12)16(22)10-7-14(20-8-10)17(23)21-9-11-3-2-6-24-11/h1-8,20H,9H2,(H,21,23)
InChIKeyOSVNSMJGPXYEBY-UHFFFAOYSA-N
XLogP4.54
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3692404
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 9247862
4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155538726
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 46920502

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1491157) is 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cccs1)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1.
What is the InChIKey of 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OSVNSMJGPXYEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-12-4-1-5-13(19)15(12)16(22)10-7-14(20-8-10)17(23)21-9-11-3-2-6-24-11/h1-8,20H,9H2,(H,21,23).
What are the key properties of 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 379.27 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1491157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).