5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide

C15H16ClNO3S — CID 26212642

IUPAC5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1OCC
InChIInChI=1S/C15H16ClNO3S/c1-3-19-11-6-5-10(9-12(11)20-4-2)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyBCPUPWXIJNRWHN-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.45
Rot. Bonds6

About 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide

5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide (PubChem CID 26212642) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
PubChem CID26212642
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1OCC
InChIInChI=1S/C15H16ClNO3S/c1-3-19-11-6-5-10(9-12(11)20-4-2)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyBCPUPWXIJNRWHN-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide (CID 26212642) is 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1OCC.
What is the InChIKey of 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is BCPUPWXIJNRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-3-19-11-6-5-10(9-12(11)20-4-2)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide?
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 26212642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).