N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide

C15H21NOS — CID 115628160

IUPACN-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
SMILESC/C=C/CCNC(=O)CCCSc1ccccc1
InChIInChI=1S/C15H21NOS/c1-2-3-7-12-16-15(17)11-8-13-18-14-9-5-4-6-10-14/h2-6,9-10H,7-8,11-13H2,1H3,(H,16,17)/b3-2+
InChIKeyXKIGGVTZKGYVAB-NSCUHMNNSA-N
MW263.41 g/mol
LogP3.64
Rot. Bonds8

About N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide

N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide (PubChem CID 115628160) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
PubChem CID115628160
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
SMILESC/C=C/CCNC(=O)CCCSc1ccccc1
InChIInChI=1S/C15H21NOS/c1-2-3-7-12-16-15(17)11-8-13-18-14-9-5-4-6-10-14/h2-6,9-10H,7-8,11-13H2,1H3,(H,16,17)/b3-2+
InChIKeyXKIGGVTZKGYVAB-NSCUHMNNSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-(2-ethylbutyl)-4-phenylsulfanylbutanamide
CID 115612600
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
3-(3,4-difluorophenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115627698
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide (CID 115628160) is N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide is C/C=C/CCNC(=O)CCCSc1ccccc1.
What is the InChIKey of N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide?
The InChIKey is XKIGGVTZKGYVAB-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-3-7-12-16-15(17)11-8-13-18-14-9-5-4-6-10-14/h2-6,9-10H,7-8,11-13H2,1H3,(H,16,17)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide?
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide has a molecular weight of 263.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 115628160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).