3-phenyl-N,N-dipropyl-2-sulfanylpropanamide

C15H23NOS — CID 107019704

IUPAC3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
SMILESCCCN(CCC)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C15H23NOS/c1-3-10-16(11-4-2)15(17)14(18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3
InChIKeyUWMKRFLJBSOPNQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.18
Rot. Bonds7

About 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide

3-phenyl-N,N-dipropyl-2-sulfanylpropanamide (PubChem CID 107019704) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
PubChem CID107019704
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
SMILESCCCN(CCC)C(=O)C(S)Cc1ccccc1
InChIInChI=1S/C15H23NOS/c1-3-10-16(11-4-2)15(17)14(18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3
InChIKeyUWMKRFLJBSOPNQ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
CID 107022432
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
CID 76925880
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
3-phenyl-2-sulfanylpropanethioic S-acid
CID 87523491
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
CID 3396310
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide?
The IUPAC name of 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide (CID 107019704) is 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide.
What is the SMILES notation for 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide?
The canonical SMILES for 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide is CCCN(CCC)C(=O)C(S)Cc1ccccc1.
What is the InChIKey of 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide?
The InChIKey is UWMKRFLJBSOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-10-16(11-4-2)15(17)14(18)12-13-8-6-5-7-9-13/h5-9,14,18H,3-4,10-12H2,1-2H3.
What are the key properties of 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide?
3-phenyl-N,N-dipropyl-2-sulfanylpropanamide has a molecular weight of 265.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-dipropyl-2-sulfanylpropanamide is sourced from PubChem (CID 107019704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).