N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H16N2O3S — CID 64793762

IUPACN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(CO)cc1)C(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-17(15(20)13-3-2-8-21-13)9-14(19)16-12-6-4-11(10-18)5-7-12/h2-8,18H,9-10H2,1H3,(H,16,19)
InChIKeyVZCSPFIIWVAEOX-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 64793762) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID64793762
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(CO)cc1)C(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c1-17(15(20)13-3-2-8-21-13)9-14(19)16-12-6-4-11(10-18)5-7-12/h2-8,18H,9-10H2,1H3,(H,16,19)
InChIKeyVZCSPFIIWVAEOX-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845804
N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55846194
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 64793762) is N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1ccc(CO)cc1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VZCSPFIIWVAEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(15(20)13-3-2-8-21-13)9-14(19)16-12-6-4-11(10-18)5-7-12/h2-8,18H,9-10H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 64793762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).