N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide

C19H18N2O2S — CID 16928294

IUPACN-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccs2)c2ccccn2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-15-9-7-14(8-10-15)16(17-5-2-3-11-20-17)13-21-19(22)18-6-4-12-24-18/h2-12,16H,13H2,1H3,(H,21,22)
InChIKeyDZGKTWGAWZWXGB-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide

N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide (PubChem CID 16928294) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide
PubChem CID16928294
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccs2)c2ccccn2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-15-9-7-14(8-10-15)16(17-5-2-3-11-20-17)13-21-19(22)18-6-4-12-24-18/h2-12,16H,13H2,1H3,(H,21,22)
InChIKeyDZGKTWGAWZWXGB-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373640
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide (CID 16928294) is N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide is COc1ccc(C(CNC(=O)c2cccs2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is DZGKTWGAWZWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-15-9-7-14(8-10-15)16(17-5-2-3-11-20-17)13-21-19(22)18-6-4-12-24-18/h2-12,16H,13H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16928294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).