N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide

C19H29FN2O5S2 — CID 55507710

IUPACN-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29FN2O5S2/c1-4-7-11-22(16-10-12-28(24,25)14-16)19(23)15-8-9-17(20)18(13-15)29(26,27)21(5-2)6-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3
InChIKeyFILRQFSQLPQJSK-UHFFFAOYSA-N
MW448.58 g/mol
LogP2.29
Rot. Bonds9

About N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide

N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide (PubChem CID 55507710) has the molecular formula C19H29FN2O5S2 and a molecular weight of 448.58 g/mol. Its IUPAC name is N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
PubChem CID55507710
Molecular FormulaC19H29FN2O5S2
Molecular Weight448.58 g/mol
Exact Mass448.15
IUPAC NameN-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
SMILESCCCCN(C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29FN2O5S2/c1-4-7-11-22(16-10-12-28(24,25)14-16)19(23)15-8-9-17(20)18(13-15)29(26,27)21(5-2)6-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3
InChIKeyFILRQFSQLPQJSK-UHFFFAOYSA-N
XLogP2.29
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 55377218
3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
CID 97028486
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55607998
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
CID 167908879
N-butyl-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508263
N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51321300
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55520088

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The IUPAC name of N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide (CID 55507710) is N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide is CCCCN(C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The InChIKey is FILRQFSQLPQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O5S2/c1-4-7-11-22(16-10-12-28(24,25)14-16)19(23)15-8-9-17(20)18(13-15)29(26,27)21(5-2)6-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3.
What are the key properties of N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide has a molecular weight of 448.58 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 55507710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).