N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C19H24N2O4S — CID 9418935

IUPACN-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccs2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-15-9-8-14(11-16(15)25-5-2)13(3)21-18(22)12-20-19(23)17-7-6-10-26-17/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyYTZGFJJNDHXDOJ-CYBMUJFWSA-N
MW376.48 g/mol
LogP3.15
Rot. Bonds9

About N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9418935) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9418935
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccs2)cc1OCC
InChIInChI=1S/C19H24N2O4S/c1-4-24-15-9-8-14(11-16(15)25-5-2)13(3)21-18(22)12-20-19(23)17-7-6-10-26-17/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyYTZGFJJNDHXDOJ-CYBMUJFWSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17395356
N-[2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 8963120
N-[3-[[N-[1-(3,4-diethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111297740
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 9418935) is N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccs2)cc1OCC.
What is the InChIKey of N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is YTZGFJJNDHXDOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-24-15-9-8-14(11-16(15)25-5-2)13(3)21-18(22)12-20-19(23)17-7-6-10-26-17/h6-11,13H,4-5,12H2,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9418935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).