4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide

C12H18N2O4S — CID 108572051

IUPAC4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-18-11-6-4-10(5-7-11)12(15)13-8-9-14-19(2,16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyQVFPLDRHHVFKPP-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.36
Rot. Bonds7

About 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide

4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 108572051) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID108572051
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-18-11-6-4-10(5-7-11)12(15)13-8-9-14-19(2,16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyQVFPLDRHHVFKPP-UHFFFAOYSA-N
XLogP0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.36
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

4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-decyl-4-ethoxybenzamide
CID 4123784
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
N-[2-(methanesulfonamido)ethyl]-4-nitrobenzamide
CID 40718557
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide (CID 108572051) is 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide is CCOc1ccc(C(=O)NCCNS(C)(=O)=O)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is QVFPLDRHHVFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-18-11-6-4-10(5-7-11)12(15)13-8-9-14-19(2,16)17/h4-7,14H,3,8-9H2,1-2H3,(H,13,15).
What are the key properties of 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide?
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 108572051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).