2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide

C24H33NO2S — CID 143451038

IUPAC2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide
SMILESC=C(CCCCC)NC(=O)C(CC1CCC(=O)C1)c1ccc(SC2CC2)cc1
InChIInChI=1S/C24H33NO2S/c1-3-4-5-6-17(2)25-24(27)23(16-18-7-10-20(26)15-18)19-8-11-21(12-9-19)28-22-13-14-22/h8-9,11-12,18,22-23H,2-7,10,13-16H2,1H3,(H,25,27)
InChIKeyGOPLXAINDCFYEK-UHFFFAOYSA-N
MW399.60 g/mol
LogP5.99
Rot. Bonds11

About 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide

2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide (PubChem CID 143451038) has the molecular formula C24H33NO2S and a molecular weight of 399.60 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide
PubChem CID143451038
Molecular FormulaC24H33NO2S
Molecular Weight399.60 g/mol
Exact Mass399.22
IUPAC Name2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide
SMILESC=C(CCCCC)NC(=O)C(CC1CCC(=O)C1)c1ccc(SC2CC2)cc1
InChIInChI=1S/C24H33NO2S/c1-3-4-5-6-17(2)25-24(27)23(16-18-7-10-20(26)15-18)19-8-11-21(12-9-19)28-22-13-14-22/h8-9,11-12,18,22-23H,2-7,10,13-16H2,1H3,(H,25,27)
InChIKeyGOPLXAINDCFYEK-UHFFFAOYSA-N
XLogP5.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 55.99
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

(2R)-N-[(1Z,3Z)-1-aminohepta-1,3-dien-3-yl]-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834592
methyl 2-(4-butoxy-3-chlorophenyl)-3-(3-oxocyclopentyl)propanoate
CID 146507131
(2R)-N-(5-chloropyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834579
5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide
CID 143834525
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834554
2-(3-chloro-4-methylsulfanylphenyl)-3-(3-oxocyclopentyl)propanoic acid
CID 73030887
3-pentylcyclopentan-1-one
CID 11040911
4-(4-methylphenyl)sulfanylcyclohexan-1-one
CID 10331073
4-(4-ethylcyclohexyl)sulfanylphenol
CID 64775882
N-(4-oxocyclohexyl)octanamide
CID 43652747
1-[4-[(2R)-1-oxo-3-[(1R)-3-oxocyclopentyl]-1-(pyrazin-2-ylamino)propan-2-yl]phenyl]cyclopropane-1-sulfinic acid
CID 174540439

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide?
The IUPAC name of 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide (CID 143451038) is 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide.
What is the SMILES notation for 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide?
The canonical SMILES for 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide is C=C(CCCCC)NC(=O)C(CC1CCC(=O)C1)c1ccc(SC2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide?
The InChIKey is GOPLXAINDCFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2S/c1-3-4-5-6-17(2)25-24(27)23(16-18-7-10-20(26)15-18)19-8-11-21(12-9-19)28-22-13-14-22/h8-9,11-12,18,22-23H,2-7,10,13-16H2,1H3,(H,25,27).
What are the key properties of 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide?
2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide has a molecular weight of 399.60 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide is sourced from PubChem (CID 143451038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).