N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C19H14Cl2N2O3S — CID 1136350

IUPACN-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-17-14(20)9-11(10-15(17)21)18(24)22-12-4-6-13(7-5-12)23-19(25)16-3-2-8-27-16/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyNAFQKEXWPWOKCR-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.57
Rot. Bonds5

About N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1136350) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1136350
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-17-14(20)9-11(10-15(17)21)18(24)22-12-4-6-13(7-5-12)23-19(25)16-3-2-8-27-16/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyNAFQKEXWPWOKCR-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-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
N-[4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 3143413
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
3,5-dichloro-4-methoxy-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17317932
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 1136350) is N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is NAFQKEXWPWOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-26-17-14(20)9-11(10-15(17)21)18(24)22-12-4-6-13(7-5-12)23-19(25)16-3-2-8-27-16/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(3,5-dichloro-4-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-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1136350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).