N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide

C19H22F2N2O4S — CID 26521263

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1C
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)17-12-15(10-9-13(17)3)22-18(24)14-7-6-8-16(11-14)27-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24)
InChIKeyMHTJTYFZMKWCKF-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.88
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide (PubChem CID 26521263) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
PubChem CID26521263
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1C
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)17-12-15(10-9-13(17)3)22-18(24)14-7-6-8-16(11-14)27-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24)
InChIKeyMHTJTYFZMKWCKF-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 16530183
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide (CID 26521263) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide?
The InChIKey is MHTJTYFZMKWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-4-23(5-2)28(25,26)17-12-15(10-9-13(17)3)22-18(24)14-7-6-8-16(11-14)27-19(20)21/h6-12,19H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide has a molecular weight of 412.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 26521263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).