N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

C19H14Cl2N2O3S — CID 3161499

IUPACN-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)11-4-6-13(20)14(21)9-11)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyNKMXLZNBVFLZDS-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.57
Rot. Bonds5

About N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161499) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161499
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)11-4-6-13(20)14(21)9-11)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyNKMXLZNBVFLZDS-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-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17317061
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 17111332

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161499) is N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is NKMXLZNBVFLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)11-4-6-13(20)14(21)9-11)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]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-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).