2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide

C18H10Cl4N2O2S — CID 2329395

IUPAC2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H10Cl4N2O2S/c19-9-1-3-13(11(21)7-9)23-17(25)15-5-6-16(27-15)18(26)24-14-4-2-10(20)8-12(14)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyLCCWRTPGVZHRPU-UHFFFAOYSA-N
MW460.17 g/mol
LogP6.87
Rot. Bonds4

About 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide

2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide (PubChem CID 2329395) has the molecular formula C18H10Cl4N2O2S and a molecular weight of 460.17 g/mol. Its IUPAC name is 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
PubChem CID2329395
Molecular FormulaC18H10Cl4N2O2S
Molecular Weight460.17 g/mol
Exact Mass457.92
IUPAC Name2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C18H10Cl4N2O2S/c19-9-1-3-13(11(21)7-9)23-17(25)15-5-6-16(27-15)18(26)24-14-4-2-10(20)8-12(14)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyLCCWRTPGVZHRPU-UHFFFAOYSA-N
XLogP6.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.17
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
N-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7788310
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide (CID 2329395) is 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide?
The InChIKey is LCCWRTPGVZHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N2O2S/c19-9-1-3-13(11(21)7-9)23-17(25)15-5-6-16(27-15)18(26)24-14-4-2-10(20)8-12(14)22/h1-8H,(H,23,25)(H,24,26).
What are the key properties of 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide?
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide has a molecular weight of 460.17 g/mol, XLogP of 6.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 2329395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).