N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C19H27NO3S — CID 4119952

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3,(H,20,21)
InChIKeyZJRRTGRJQISVOP-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4119952) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID4119952
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3,(H,20,21)
InChIKeyZJRRTGRJQISVOP-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 55392642
3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 110407414
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034524
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 4119952) is N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is ZJRRTGRJQISVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h5,7-10H,2-4,6,11-15H2,1H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 349.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4119952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).