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

C19H15ClN2O3S — CID 3161360

IUPACN-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H15ClN2O3S/c1-25-16-11-14(21-18(23)12-4-2-5-13(20)10-12)7-8-15(16)22-19(24)17-6-3-9-26-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyXBIRUCWDQGYAAY-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.91
Rot. Bonds5

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

N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161360) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161360
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H15ClN2O3S/c1-25-16-11-14(21-18(23)12-4-2-5-13(20)10-12)7-8-15(16)22-19(24)17-6-3-9-26-17/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyXBIRUCWDQGYAAY-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161360) is N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is XBIRUCWDQGYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-25-16-11-14(21-18(23)12-4-2-5-13(20)10-12)7-8-15(16)22-19(24)17-6-3-9-26-17/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).