4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide

C18H27FN2O4S — CID 55796321

IUPAC4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C(CC)CC)ccc1F
InChIInChI=1S/C18H27FN2O4S/c1-5-10-20-26(23,24)17-13-14(8-9-16(17)19)18(22)21(11-12-25-4)15(6-2)7-3/h5,8-9,13,15,20H,1,6-7,10-12H2,2-4H3
InChIKeyVWPGUDQJKQOWQF-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.57
Rot. Bonds11

About 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide

4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55796321) has the molecular formula C18H27FN2O4S and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55796321
Molecular FormulaC18H27FN2O4S
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C(CC)CC)ccc1F
InChIInChI=1S/C18H27FN2O4S/c1-5-10-20-26(23,24)17-13-14(8-9-16(17)19)18(22)21(11-12-25-4)15(6-2)7-3/h5,8-9,13,15,20H,1,6-7,10-12H2,2-4H3
InChIKeyVWPGUDQJKQOWQF-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide 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

4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55992642
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004887
3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55970006
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide (CID 55796321) is 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C(CC)CC)ccc1F.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is VWPGUDQJKQOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4S/c1-5-10-20-26(23,24)17-13-14(8-9-16(17)19)18(22)21(11-12-25-4)15(6-2)7-3/h5,8-9,13,15,20H,1,6-7,10-12H2,2-4H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide?
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 386.49 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55796321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).