N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide

C18H22N2O3S — CID 94618182

IUPACN-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-9-18(14(2)12-13)20-24(22,23)17-7-5-16(6-8-17)10-11-19-15(3)21/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXHVSZORSOBULSZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide

N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide (PubChem CID 94618182) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
PubChem CID94618182
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-9-18(14(2)12-13)20-24(22,23)17-7-5-16(6-8-17)10-11-19-15(3)21/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXHVSZORSOBULSZ-UHFFFAOYSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
3-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]propanoic acid
CID 9234680
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
N-[2-[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-4-ethoxyphenyl]-2-hydroxypropanamide
CID 2974906
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide (CID 94618182) is N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide?
The InChIKey is XHVSZORSOBULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-4-9-18(14(2)12-13)20-24(22,23)17-7-5-16(6-8-17)10-11-19-15(3)21/h4-9,12,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide?
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 94618182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).