2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide

C16H18N2O3S — CID 51179285

IUPAC2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)18-15-7-5-4-6-14(15)16(19)17-13-10-8-12(2)9-11-13/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyVFHDDCWEDMWIMT-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.01
Rot. Bonds5

About 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide

2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide (PubChem CID 51179285) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
PubChem CID51179285
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)18-15-7-5-4-6-14(15)16(19)17-13-10-8-12(2)9-11-13/h4-11,18H,3H2,1-2H3,(H,17,19)
InChIKeyVFHDDCWEDMWIMT-UHFFFAOYSA-N
XLogP3.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 55960852
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide (CID 51179285) is 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide is CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide?
The InChIKey is VFHDDCWEDMWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-22(20,21)18-15-7-5-4-6-14(15)16(19)17-13-10-8-12(2)9-11-13/h4-11,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide?
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 51179285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).