N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide

C18H22N2O3S — CID 108574771

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)12-13)24(22,23)20-11-10-19-18(21)16-7-5-4-6-14(16)2/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyOALCSBLZBZTTHE-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.32
Rot. Bonds6

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide (PubChem CID 108574771) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
PubChem CID108574771
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)12-13)24(22,23)20-11-10-19-18(21)16-7-5-4-6-14(16)2/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyOALCSBLZBZTTHE-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
N-[1-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperidin-4-yl]-2-methylbenzamide
CID 55694111
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 39975858
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide (CID 108574771) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide?
The InChIKey is OALCSBLZBZTTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)12-13)24(22,23)20-11-10-19-18(21)16-7-5-4-6-14(16)2/h4-9,12,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 108574771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).