N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide

C17H20N2O3S — CID 24663420

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13-8-9-14(2)16(12-13)23(21,22)19-11-10-18-17(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyGRWULKLLGBIILI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.01
Rot. Bonds6

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 24663420) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID24663420
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3S/c1-13-8-9-14(2)16(12-13)23(21,22)19-11-10-18-17(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyGRWULKLLGBIILI-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.01
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-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
1-benzyl-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952970
(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
CID 35644810
1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
CID 78872572
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
CID 51084190
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503479
(E)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 32996503

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide (CID 24663420) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is GRWULKLLGBIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-8-9-14(2)16(12-13)23(21,22)19-11-10-18-17(20)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 24663420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).