N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide

C21H21NOS — CID 112837699

IUPACN-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NOS/c23-21(15-18-13-14-24-16-18)22-20(19-9-5-2-6-10-19)12-11-17-7-3-1-4-8-17/h1-10,13-14,16,20H,11-12,15H2,(H,22,23)
InChIKeyPIPKTCYIORFXQV-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.78
Rot. Bonds7

About N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide

N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide (PubChem CID 112837699) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
PubChem CID112837699
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NOS/c23-21(15-18-13-14-24-16-18)22-20(19-9-5-2-6-10-19)12-11-17-7-3-1-4-8-17/h1-10,13-14,16,20H,11-12,15H2,(H,22,23)
InChIKeyPIPKTCYIORFXQV-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 124761273
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide (CID 112837699) is N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide?
The InChIKey is PIPKTCYIORFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-21(15-18-13-14-24-16-18)22-20(19-9-5-2-6-10-19)12-11-17-7-3-1-4-8-17/h1-10,13-14,16,20H,11-12,15H2,(H,22,23).
What are the key properties of N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide?
N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide has a molecular weight of 335.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 112837699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).