N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

C20H17ClN2O4S — CID 3161501

IUPACN-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-26-16-8-5-12(10-14(16)21)19(24)22-13-6-7-15(17(11-13)27-2)23-20(25)18-4-3-9-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLXMKHIJDIKKNIF-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.92
Rot. Bonds6

About N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161501) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161501
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC NameN-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl
InChIInChI=1S/C20H17ClN2O4S/c1-26-16-8-5-12(10-14(16)21)19(24)22-13-6-7-15(17(11-13)27-2)23-20(25)18-4-3-9-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyLXMKHIJDIKKNIF-UHFFFAOYSA-N
XLogP4.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161501) is N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is LXMKHIJDIKKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-26-16-8-5-12(10-14(16)21)19(24)22-13-6-7-15(17(11-13)27-2)23-20(25)18-4-3-9-28-18/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methoxybenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).