N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C19H14Cl2N2O3S — CID 4569821

IUPACN-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-17-14(8-11(20)9-15(17)21)18(24)22-12-4-2-5-13(10-12)23-19(25)16-6-3-7-27-16/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyUONNCYWGLMGHJE-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.57
Rot. Bonds5

About N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 4569821) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID4569821
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-17-14(8-11(20)9-15(17)21)18(24)22-12-4-2-5-13(10-12)23-19(25)16-6-3-7-27-16/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyUONNCYWGLMGHJE-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
CID 22561455
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6011924
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 4569821) is N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is UONNCYWGLMGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-26-17-14(8-11(20)9-15(17)21)18(24)22-12-4-2-5-13(10-12)23-19(25)16-6-3-7-27-16/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4569821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).