2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide

C15H23NO4S — CID 126819309

IUPAC2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CC(OC)C2CC2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-4-20-13-7-8-14(11(2)9-13)16-21(17,18)10-15(19-3)12-5-6-12/h7-9,12,15-16H,4-6,10H2,1-3H3
InChIKeyPSCVQWFRMWLFLT-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.56
Rot. Bonds8

About 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide

2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide (PubChem CID 126819309) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide
PubChem CID126819309
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CC(OC)C2CC2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-4-20-13-7-8-14(11(2)9-13)16-21(17,18)10-15(19-3)12-5-6-12/h7-9,12,15-16H,4-6,10H2,1-3H3
InChIKeyPSCVQWFRMWLFLT-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide
CID 127266136
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
3-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methylpropane-1-sulfonamide
CID 79557203
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
N-(4-ethoxy-2-methylphenyl)-3-methyl-1,2-oxazole-4-sulfonamide
CID 126830755

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide?
The IUPAC name of 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide (CID 126819309) is 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide is CCOc1ccc(NS(=O)(=O)CC(OC)C2CC2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide?
The InChIKey is PSCVQWFRMWLFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-20-13-7-8-14(11(2)9-13)16-21(17,18)10-15(19-3)12-5-6-12/h7-9,12,15-16H,4-6,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide?
2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-ethoxy-2-methylphenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 126819309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).