3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide

C20H19NOS — CID 90596831

IUPAC3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H19NOS/c22-20(11-10-16-6-2-1-3-7-16)21-14-17-8-4-5-9-19(17)18-12-13-23-15-18/h1-9,12-13,15H,10-11,14H2,(H,21,22)
InChIKeyYSPAGXFCMMEMCV-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.66
Rot. Bonds6

About 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide

3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide (PubChem CID 90596831) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
PubChem CID90596831
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H19NOS/c22-20(11-10-16-6-2-1-3-7-16)21-14-17-8-4-5-9-19(17)18-12-13-23-15-18/h1-9,12-13,15H,10-11,14H2,(H,21,22)
InChIKeyYSPAGXFCMMEMCV-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
methyl 3-(2-thiophen-3-ylphenyl)propanoate
CID 70967888
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38263182
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
CID 71809975
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596889

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide (CID 90596831) is 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide is O=C(CCc1ccccc1)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide?
The InChIKey is YSPAGXFCMMEMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20(11-10-16-6-2-1-3-7-16)21-14-17-8-4-5-9-19(17)18-12-13-23-15-18/h1-9,12-13,15H,10-11,14H2,(H,21,22).
What are the key properties of 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide?
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide has a molecular weight of 321.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide is sourced from PubChem (CID 90596831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).