N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide

C18H16F2N2O2S — CID 9046628

IUPACN-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H16F2N2O2S/c19-11-5-8-16(14(20)9-11)25-10-17(23)22-15-4-2-1-3-13(15)18(24)21-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,21,24)(H,22,23)
InChIKeyFGLFNIXLSSEDHO-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.59
Rot. Bonds6

About N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide

N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide (PubChem CID 9046628) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
PubChem CID9046628
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC NameN-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H16F2N2O2S/c19-11-5-8-16(14(20)9-11)25-10-17(23)22-15-4-2-1-3-13(15)18(24)21-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,21,24)(H,22,23)
InChIKeyFGLFNIXLSSEDHO-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673641
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 726142
N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 55837800
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide (CID 9046628) is N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide is O=C(CSc1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is FGLFNIXLSSEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c19-11-5-8-16(14(20)9-11)25-10-17(23)22-15-4-2-1-3-13(15)18(24)21-12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 362.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 9046628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).