2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

C16H14F2N2O2S2 — CID 17461144

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2S2/c17-16(18)24-11-7-5-10(6-8-11)20-15(22)12-3-1-2-4-13(12)23-9-14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22)
InChIKeyAUCKGMJXYQRFST-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds7

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (PubChem CID 17461144) has the molecular formula C16H14F2N2O2S2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
PubChem CID17461144
Molecular FormulaC16H14F2N2O2S2
Molecular Weight368.43 g/mol
Exact Mass368.05
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C16H14F2N2O2S2/c17-16(18)24-11-7-5-10(6-8-11)20-15(22)12-3-1-2-4-13(12)23-9-14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22)
InChIKeyAUCKGMJXYQRFST-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenzothiazepinone
CID 374829
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
methyl N-(4-phenacylsulfanylphenyl)carbamate
CID 854467
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
N-[4-(difluoromethylsulfanyl)phenyl]-4-fluorobenzamide
CID 1548689
2-(Benzoylsulfanyl)-N-(2-methylphenyl)acetamide
CID 2348442
N-[4-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2409282
N-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 2540090
N1-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 2819047
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24818355

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (CID 17461144) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is NC(=O)CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is AUCKGMJXYQRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S2/c17-16(18)24-11-7-5-10(6-8-11)20-15(22)12-3-1-2-4-13(12)23-9-14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 17461144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).