N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

C19H22N2O4S — CID 5023290

IUPACN-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-4-14-21(26(3,23)24)16-12-10-15(11-13-16)19(22)20-17-8-6-7-9-18(17)25-5-2/h4,6-13H,1,5,14H2,2-3H3,(H,20,22)
InChIKeyJKRXRTUCOBKKRN-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.29
Rot. Bonds8

About N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (PubChem CID 5023290) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
PubChem CID5023290
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(c1ccc(C(=O)Nc2ccccc2OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-4-14-21(26(3,23)24)16-12-10-15(11-13-16)19(22)20-17-8-6-7-9-18(17)25-5-2/h4,6-13H,1,5,14H2,2-3H3,(H,20,22)
InChIKeyJKRXRTUCOBKKRN-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
4-[[2,3-dihydro-1H-inden-5-yl(methylsulfonyl)amino]methyl]-N-(2-ethoxyphenyl)benzamide
CID 56832742
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 92679749
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
3-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-ethoxyphenyl)benzamide
CID 66715077
N-(2-ethoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1105792
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide (CID 5023290) is N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is C=CCN(c1ccc(C(=O)Nc2ccccc2OCC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
The InChIKey is JKRXRTUCOBKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-14-21(26(3,23)24)16-12-10-15(11-13-16)19(22)20-17-8-6-7-9-18(17)25-5-2/h4,6-13H,1,5,14H2,2-3H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide?
N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 5023290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).