N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C19H17F3N2O4S — CID 38076715

IUPACN-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O4S/c1-3-12-23-29(26,27)16-10-8-14(9-11-16)18(25)24(2)13-15-6-4-5-7-17(15)28-19(20,21)22/h1,4-11,23H,12-13H2,2H3
InChIKeySGLIOZJZCAXQKA-UHFFFAOYSA-N
MW426.42 g/mol
LogP2.77
Rot. Bonds7

About N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 38076715) has the molecular formula C19H17F3N2O4S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID38076715
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC NameN-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O4S/c1-3-12-23-29(26,27)16-10-8-14(9-11-16)18(25)24(2)13-15-6-4-5-7-17(15)28-19(20,21)22/h1,4-11,23H,12-13H2,2H3
InChIKeySGLIOZJZCAXQKA-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550716
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38074784
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 38076715) is N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is SGLIOZJZCAXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4S/c1-3-12-23-29(26,27)16-10-8-14(9-11-16)18(25)24(2)13-15-6-4-5-7-17(15)28-19(20,21)22/h1,4-11,23H,12-13H2,2H3.
What are the key properties of N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 426.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 38076715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).