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

C18H15F3N2O4S — CID 35743719

IUPACN-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O4S/c19-18(20,21)28(26,27)15-8-4-11(5-9-15)16(24)23-14-3-1-2-12(10-14)17(25)22-13-6-7-13/h1-5,8-10,13H,6-7H2,(H,22,25)(H,23,24)
InChIKeyDWIBEJSDATTXQE-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.12
Rot. Bonds5

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

N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide (PubChem CID 35743719) has the molecular formula C18H15F3N2O4S and a molecular weight of 412.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
PubChem CID35743719
Molecular FormulaC18H15F3N2O4S
Molecular Weight412.39 g/mol
Exact Mass412.07
IUPAC NameN-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O4S/c19-18(20,21)28(26,27)15-8-4-11(5-9-15)16(24)23-14-3-1-2-12(10-14)17(25)22-13-6-7-13/h1-5,8-10,13H,6-7H2,(H,22,25)(H,23,24)
InChIKeyDWIBEJSDATTXQE-UHFFFAOYSA-N
XLogP3.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide (CID 35743719) is N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide is O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide?
The InChIKey is DWIBEJSDATTXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4S/c19-18(20,21)28(26,27)15-8-4-11(5-9-15)16(24)23-14-3-1-2-12(10-14)17(25)22-13-6-7-13/h1-5,8-10,13H,6-7H2,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide?
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide has a molecular weight of 412.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide is sourced from PubChem (CID 35743719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).