N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

C14H13ClN2O3S — CID 1256034

IUPACN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-20-11-5-4-9(7-10(11)15)17-13(18)8-16-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyBWQGXXHJWUUTNI-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 1256034) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID1256034
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-20-11-5-4-9(7-10(11)15)17-13(18)8-16-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyBWQGXXHJWUUTNI-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 1256034) is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BWQGXXHJWUUTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-20-11-5-4-9(7-10(11)15)17-13(18)8-16-14(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1256034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).