3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide

C18H19NOS — CID 107027061

IUPAC3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
SMILESO=C(NC1CC1c1ccccc1)C(S)Cc1ccccc1
InChIInChI=1S/C18H19NOS/c20-18(17(21)11-13-7-3-1-4-8-13)19-16-12-15(16)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H,19,20)
InChIKeyOOKYPOSMJHYNKU-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.20
Rot. Bonds5

About 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide

3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide (PubChem CID 107027061) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
PubChem CID107027061
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
SMILESO=C(NC1CC1c1ccccc1)C(S)Cc1ccccc1
InChIInChI=1S/C18H19NOS/c20-18(17(21)11-13-7-3-1-4-8-13)19-16-12-15(16)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H,19,20)
InChIKeyOOKYPOSMJHYNKU-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide?
The IUPAC name of 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide (CID 107027061) is 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide.
What is the SMILES notation for 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide?
The canonical SMILES for 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide is O=C(NC1CC1c1ccccc1)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide?
The InChIKey is OOKYPOSMJHYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c20-18(17(21)11-13-7-3-1-4-8-13)19-16-12-15(16)14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H,19,20).
What are the key properties of 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide?
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107027061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).