N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C16H18N2O3S — CID 27548616

IUPACN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-13-6-4-12(5-7-13)8-9-17-15(19)11-18-16(20)14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVVKNDBUXWGDIGN-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 27548616) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID27548616
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-21-13-6-4-12(5-7-13)8-9-17-15(19)11-18-16(20)14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVVKNDBUXWGDIGN-UHFFFAOYSA-N
XLogP1.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[2-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 24637880
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 27548616) is N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VVKNDBUXWGDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-13-6-4-12(5-7-13)8-9-17-15(19)11-18-16(20)14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 27548616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).