N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H22N2O3S — CID 79386751

IUPACN-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-5-16(10-14(2,3)19)12(17)9-15(4)13(18)11-7-6-8-20-11/h6-8,19H,5,9-10H2,1-4H3
InChIKeyPJQAGGFGCATZJI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds6

About N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 79386751) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID79386751
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-5-16(10-14(2,3)19)12(17)9-15(4)13(18)11-7-6-8-20-11/h6-8,19H,5,9-10H2,1-4H3
InChIKeyPJQAGGFGCATZJI-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
ethyl 2-[ethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetate
CID 61012379
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 111596646
N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
2-[butan-2-yl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 60829062
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 79386751) is N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CCN(CC(C)(C)O)C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PJQAGGFGCATZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-16(10-14(2,3)19)12(17)9-15(4)13(18)11-7-6-8-20-11/h6-8,19H,5,9-10H2,1-4H3.
What are the key properties of N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 79386751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).