(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide

C15H23NO2S — CID 40604017

IUPAC(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(2)18-11-7-10-16-15(17)13(3)19-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyTVNWFUNLQYDHRR-ZDUSSCGKSA-N
MW281.42 g/mol
LogP3.10
Rot. Bonds8

About (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide

(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 40604017) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID40604017
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(2)18-11-7-10-16-15(17)13(3)19-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyTVNWFUNLQYDHRR-ZDUSSCGKSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 133166181
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
(2R)-2-phenylsulfanyl-N-[3-[[(2R)-2-phenylsulfanylpropanoyl]sulfamoyl]propyl]propanamide
CID 95354875
2-phenylsulfanyl-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56543299
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide (CID 40604017) is (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is TVNWFUNLQYDHRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)18-11-7-10-16-15(17)13(3)19-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide?
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 40604017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).