2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide

C12H12Cl2N2OS — CID 31218102

IUPAC2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)sc2Cl)n1C
InChIInChI=1S/C12H12Cl2N2OS/c1-7-3-4-8(16(7)2)6-15-12(17)9-5-10(13)18-11(9)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeySOALFEHQXVCTQD-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.63
Rot. Bonds3

About 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 31218102) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID31218102
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)sc2Cl)n1C
InChIInChI=1S/C12H12Cl2N2OS/c1-7-3-4-8(16(7)2)6-15-12(17)9-5-10(13)18-11(9)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeySOALFEHQXVCTQD-UHFFFAOYSA-N
XLogP3.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
CID 67403099
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 71900376
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
4-(aminomethyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 43620649
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide (CID 31218102) is 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide is Cc1ccc(CNC(=O)c2cc(Cl)sc2Cl)n1C.
What is the InChIKey of 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is SOALFEHQXVCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-7-3-4-8(16(7)2)6-15-12(17)9-5-10(13)18-11(9)14/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 303.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 31218102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).