N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide

C18H22N2O4S — CID 2913303

IUPACN-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-13-9-8-12-16(17)19-18(21)14(2)20(25(3,22)23)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21)
InChIKeyGNTRGSOZRHIOET-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.88
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide

N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 2913303) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID2913303
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-13-9-8-12-16(17)19-18(21)14(2)20(25(3,22)23)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21)
InChIKeyGNTRGSOZRHIOET-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)propanamide
CID 99131992
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylphenyl)propanamide
CID 3954255
(2S)-N-(2-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1322346
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 21372170
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
(2S)-N-(2,3-dichlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126269148
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide (CID 2913303) is N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide is CCOc1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is GNTRGSOZRHIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-13-9-8-12-16(17)19-18(21)14(2)20(25(3,22)23)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2913303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).