N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C26H34N2O3S — CID 100782324

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C26H34N2O3S/c1-21-13-14-22(2)25(19-21)32(30,31)28(18-16-24-11-7-4-8-12-24)20-26(29)27-17-15-23-9-5-3-6-10-23/h4,7-9,11-14,19H,3,5-6,10,15-18,20H2,1-2H3,(H,27,29)
InChIKeyVUDPWCBLUXSJQZ-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.54
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 100782324) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID100782324
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C26H34N2O3S/c1-21-13-14-22(2)25(19-21)32(30,31)28(18-16-24-11-7-4-8-12-24)20-26(29)27-17-15-23-9-5-3-6-10-23/h4,7-9,11-14,19H,3,5-6,10,15-18,20H2,1-2H3,(H,27,29)
InChIKeyVUDPWCBLUXSJQZ-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.54
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

2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 100781833
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782435
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 100782482
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 100782472
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371959
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 100782324) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is VUDPWCBLUXSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-21-13-14-22(2)25(19-21)32(30,31)28(18-16-24-11-7-4-8-12-24)20-26(29)27-17-15-23-9-5-3-6-10-23/h4,7-9,11-14,19H,3,5-6,10,15-18,20H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 454.64 g/mol, XLogP of 4.54, 10 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]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100782324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).