N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C17H20N2O3S — CID 134054612

IUPACN-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(13-7-4-5-8-14(13)22-3)19(2)16(20)11-18-17(21)15-9-6-10-23-15/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyMKRWVQCAWLXPND-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 134054612) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID134054612
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(13-7-4-5-8-14(13)22-3)19(2)16(20)11-18-17(21)15-9-6-10-23-15/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyMKRWVQCAWLXPND-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
N-[2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9471010

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 134054612) is N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccccc1C(C)N(C)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is MKRWVQCAWLXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(13-7-4-5-8-14(13)22-3)19(2)16(20)11-18-17(21)15-9-6-10-23-15/h4-10,12H,11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 134054612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).