N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide

C19H17F3N2O2S — CID 55786011

IUPACN-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2S/c1-11-2-3-13(18(26)23-14-6-7-14)10-16(11)24-17(25)12-4-8-15(9-5-12)27-19(20,21)22/h2-5,8-10,14H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyOAMLQSFKUZXDFU-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.75
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide (PubChem CID 55786011) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
PubChem CID55786011
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2S/c1-11-2-3-13(18(26)23-14-6-7-14)10-16(11)24-17(25)12-4-8-15(9-5-12)27-19(20,21)22/h2-5,8-10,14H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyOAMLQSFKUZXDFU-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 60530745
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 24660101

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide (CID 55786011) is N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide?
The InChIKey is OAMLQSFKUZXDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-11-2-3-13(18(26)23-14-6-7-14)10-16(11)24-17(25)12-4-8-15(9-5-12)27-19(20,21)22/h2-5,8-10,14H,6-7H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide has a molecular weight of 394.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide is sourced from PubChem (CID 55786011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).