N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

C15H16N2O3S — CID 3371205

IUPACN-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O3S/c1-20-12-5-2-4-11(8-12)9-16-14(18)10-17-15(19)13-6-3-7-21-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWCOSQSXTLABWOG-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3371205) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3371205
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O3S/c1-20-12-5-2-4-11(8-12)9-16-14(18)10-17-15(19)13-6-3-7-21-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWCOSQSXTLABWOG-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
Thiophene derivative, 3f
CID 25023799
2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-2-Carboxamide
CID 68738441
(6-Phenyl-hexyl)-carbamic acid 3-(3-carbamoyl-5-methyl-thiophen-2-yl)-phenyl ester
CID 46916520
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 1245830
N-[2-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245998
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 3371205) is N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is COc1cccc(CNC(=O)CNC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WCOSQSXTLABWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-12-5-2-4-11(8-12)9-16-14(18)10-17-15(19)13-6-3-7-21-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3371205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).