3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide

C19H21FN2O3S — CID 46647625

IUPAC3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-13(14-6-8-16(20)9-7-14)22(2)19(23)15-4-3-5-18(12-15)26(24,25)21-17-10-11-17/h3-9,12-13,17,21H,10-11H2,1-2H3
InChIKeyZDKJQJKXZHPMKK-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.10
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide

3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide (PubChem CID 46647625) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
PubChem CID46647625
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-13(14-6-8-16(20)9-7-14)22(2)19(23)15-4-3-5-18(12-15)26(24,25)21-17-10-11-17/h3-9,12-13,17,21H,10-11H2,1-2H3
InChIKeyZDKJQJKXZHPMKK-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
N-[1-(4-fluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 134045496
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55359807
N-cyclopentyl-3-(cyclopropylsulfamoyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853544
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32800330
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide (CID 46647625) is 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is ZDKJQJKXZHPMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13(14-6-8-16(20)9-7-14)22(2)19(23)15-4-3-5-18(12-15)26(24,25)21-17-10-11-17/h3-9,12-13,17,21H,10-11H2,1-2H3.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide?
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 46647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).