5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H18N2O2S — CID 18114779

IUPAC5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2C)s1
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-13(11)9-17-15(19)10-18-16(20)14-8-7-12(2)21-14/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHWNDZANJYKDADH-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.41
Rot. Bonds5

About 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18114779) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18114779
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2C)s1
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-13(11)9-17-15(19)10-18-16(20)14-8-7-12(2)21-14/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHWNDZANJYKDADH-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
5-methyl-N-[2-oxo-2-[(2-phenylmethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55854158
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
N-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18110779
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 18114779) is 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCc2ccccc2C)s1.
What is the InChIKey of 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HWNDZANJYKDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-5-3-4-6-13(11)9-17-15(19)10-18-16(20)14-8-7-12(2)21-14/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18114779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).