N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide

C13H20N2O4S — CID 60722617

IUPACN-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
SMILESCCOc1ccc(C(=O)NC(C)CC)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-9(3)15-13(16)10-6-7-11(19-5-2)12(8-10)20(14,17)18/h6-9H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyXWFGFAKFCNYZLC-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.26
Rot. Bonds6

About N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide

N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide (PubChem CID 60722617) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
PubChem CID60722617
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
SMILESCCOc1ccc(C(=O)NC(C)CC)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-9(3)15-13(16)10-6-7-11(19-5-2)12(8-10)20(14,17)18/h6-9H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyXWFGFAKFCNYZLC-UHFFFAOYSA-N
XLogP1.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701176
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
tert-butyl 4-ethoxy-3-sulfamoylbenzoate
CID 65380420

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide (CID 60722617) is N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide is CCOc1ccc(C(=O)NC(C)CC)cc1S(N)(=O)=O.
What is the InChIKey of N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide?
The InChIKey is XWFGFAKFCNYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9(3)15-13(16)10-6-7-11(19-5-2)12(8-10)20(14,17)18/h6-9H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide?
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 60722617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).