N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide

C20H24N2O4S — CID 55757965

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13(2)27(25,26)17-10-8-16(9-11-17)20(24)21-12-18(23)22-19-14(3)6-5-7-15(19)4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyYGCSRHIGRXSJSC-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55757965) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55757965
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13(2)27(25,26)17-10-8-16(9-11-17)20(24)21-12-18(23)22-19-14(3)6-5-7-15(19)4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyYGCSRHIGRXSJSC-UHFFFAOYSA-N
XLogP2.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24680155
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 25353015
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 26904071
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
CID 51089057

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide (CID 55757965) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is YGCSRHIGRXSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)27(25,26)17-10-8-16(9-11-17)20(24)21-12-18(23)22-19-14(3)6-5-7-15(19)4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).