N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

C19H28N2O3S — CID 2175357

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C19H28N2O3S/c1-15-8-7-11-18(16(15)2)21(25(3,23)24)14-19(22)20-13-12-17-9-5-4-6-10-17/h7-9,11H,4-6,10,12-14H2,1-3H3,(H,20,22)
InChIKeyZBOFHTHLNMZHMO-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 2175357) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID2175357
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C19H28N2O3S/c1-15-8-7-11-18(16(15)2)21(25(3,23)24)14-19(22)20-13-12-17-9-5-4-6-10-17/h7-9,11H,4-6,10,12-14H2,1-3H3,(H,20,22)
InChIKeyZBOFHTHLNMZHMO-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.08
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]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034524
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(dimethylamino)-N-methylsulfonylanilino]acetamide
CID 113156112
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113144180
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2175307
3-(3-acetyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113145310
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30224877
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30225013

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (CID 2175357) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ZBOFHTHLNMZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-8-7-11-18(16(15)2)21(25(3,23)24)14-19(22)20-13-12-17-9-5-4-6-10-17/h7-9,11H,4-6,10,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 364.51 g/mol, XLogP of 3.08, 7 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-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2175357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).