2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide

C19H22N2O4S — CID 39975858

IUPAC2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-8-9-14(2)17(12-13)18(22)15-6-4-5-7-16(15)19(23)20-10-11-21-26(3,24)25/h4-9,12,21H,10-11H2,1-3H3,(H,20,23)
InChIKeyUHWGLYSOMQIGTL-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.81
Rot. Bonds7

About 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide

2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 39975858) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID39975858
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-8-9-14(2)17(12-13)18(22)15-6-4-5-7-16(15)19(23)20-10-11-21-26(3,24)25/h4-9,12,21H,10-11H2,1-3H3,(H,20,23)
InChIKeyUHWGLYSOMQIGTL-UHFFFAOYSA-N
XLogP1.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
2-(2,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829826
3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083556
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
2-bromo-N-[3-(methanesulfonamido)propyl]-4-methylbenzamide
CID 113337803
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide (CID 39975858) is 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide is Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is UHWGLYSOMQIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-8-9-14(2)17(12-13)18(22)15-6-4-5-7-16(15)19(23)20-10-11-21-26(3,24)25/h4-9,12,21H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide?
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 39975858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).