3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide

C19H21FN2O4S — CID 51195778

IUPAC3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H21FN2O4S/c1-22(12-14-5-3-4-6-16(14)20)19(23)13-7-10-17(26-2)18(11-13)27(24,25)21-15-8-9-15/h3-7,10-11,15,21H,8-9,12H2,1-2H3
InChIKeyOVNJXPXVFAKSBL-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.55
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide

3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 51195778) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID51195778
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C19H21FN2O4S/c1-22(12-14-5-3-4-6-16(14)20)19(23)13-7-10-17(26-2)18(11-13)27(24,25)21-15-8-9-15/h3-7,10-11,15,21H,8-9,12H2,1-2H3
InChIKeyOVNJXPXVFAKSBL-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991073
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51933237
3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide (CID 51195778) is 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is OVNJXPXVFAKSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-22(12-14-5-3-4-6-16(14)20)19(23)13-7-10-17(26-2)18(11-13)27(24,25)21-15-8-9-15/h3-7,10-11,15,21H,8-9,12H2,1-2H3.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide?
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 51195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).