N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C20H17ClN2O3S — CID 1164621

IUPACN-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl
InChIInChI=1S/C20H17ClN2O3S/c1-2-26-17-9-8-13(11-16(17)21)19(24)22-14-5-3-6-15(12-14)23-20(25)18-7-4-10-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyVUUKTXGRHQUJSW-UHFFFAOYSA-N
MW400.89 g/mol
LogP5.30
Rot. Bonds6

About N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1164621) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1164621
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl
InChIInChI=1S/C20H17ClN2O3S/c1-2-26-17-9-8-13(11-16(17)21)19(24)22-14-5-3-6-15(12-14)23-20(25)18-7-4-10-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyVUUKTXGRHQUJSW-UHFFFAOYSA-N
XLogP5.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.89
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
N-[2-chloro-5-[(2,5-diethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26682667
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 1164621) is N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl.
What is the InChIKey of N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is VUUKTXGRHQUJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-2-26-17-9-8-13(11-16(17)21)19(24)22-14-5-3-6-15(12-14)23-20(25)18-7-4-10-27-18/h3-12H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1164621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).