N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide

C17H16F2N2O2S — CID 48731808

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-17(19)24-13-8-6-12(7-9-13)16(23)21-14(15(20)22)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H2,20,22)(H,21,23)
InChIKeyMSAFPPMSSVHDKB-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.83
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 48731808) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID48731808
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-17(19)24-13-8-6-12(7-9-13)16(23)21-14(15(20)22)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H2,20,22)(H,21,23)
InChIKeyMSAFPPMSSVHDKB-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[methyl(propyl)amino]benzamide
CID 95286959
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
4-carbamimidoyl-N-(1-oxo-1,3-diphenylpropan-2-yl)benzamide
CID 174325518
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065478

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide (CID 48731808) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is MSAFPPMSSVHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c18-17(19)24-13-8-6-12(7-9-13)16(23)21-14(15(20)22)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H2,20,22)(H,21,23).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 350.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 48731808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).