N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

C15H16N2O3S — CID 18104528

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10-3-8-13(21-10)15(19)16-9-14(18)17-11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNCQHGQOLZNPIIK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 18104528) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID18104528
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-10-3-8-13(21-10)15(19)16-9-14(18)17-11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNCQHGQOLZNPIIK-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
ethyl (E)-3-[4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 35893702
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55346126
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 18104528) is N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is NCQHGQOLZNPIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-3-8-13(21-10)15(19)16-9-14(18)17-11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18104528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).