5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

C18H21N3O4S — CID 68960592

IUPAC5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCS(=O)(=O)Nc1cc(C(N)=O)cc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O4S/c1-3-26(24,25)21-16-10-14(17(19)22)9-15(11-16)18(23)20-12(2)13-7-5-4-6-8-13/h4-12,21H,3H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyOWTYKGXBJGVSRH-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.04
Rot. Bonds7

About 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide

5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 68960592) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID68960592
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCS(=O)(=O)Nc1cc(C(N)=O)cc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H21N3O4S/c1-3-26(24,25)21-16-10-14(17(19)22)9-15(11-16)18(23)20-12(2)13-7-5-4-6-8-13/h4-12,21H,3H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyOWTYKGXBJGVSRH-UHFFFAOYSA-N
XLogP2.04
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-[[3-(ethylsulfonylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]-2-hydroxy-4-phenylbutanoic acid
CID 69284488
5-(ethylsulfonylamino)-3-N-[(2S,3R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]-1-phenylbutan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 68960060
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
5-(ethylsulfonylamino)-3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-pyrrolidin-1-ylethylamino)butan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 69283664
3-N-[(2S,3R)-4-[(5-ethyl-3-pyridinyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-5-(ethylsulfonylamino)-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 69091971
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
5-(ethylsulfonylamino)-3-N-[(2S,3R)-3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 68955458
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
5-(ethylsulfonylamino)-3-N-[(2S,3R)-3-hydroxy-4-[2-(2-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 68956209
4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 68960592) is 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CCS(=O)(=O)Nc1cc(C(N)=O)cc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is OWTYKGXBJGVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-26(24,25)21-16-10-14(17(19)22)9-15(11-16)18(23)20-12(2)13-7-5-4-6-8-13/h4-12,21H,3H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 68960592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).