[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate

C16H14F2N2O3S — CID 69029119

IUPAC[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O3S/c17-15(18)24-13-7-3-11(4-8-13)20-14(21)9-10-1-5-12(6-2-10)23-16(19)22/h1-8,15H,9H2,(H2,19,22)(H,20,21)
InChIKeyIQCBYMKMZFETCN-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.64
Rot. Bonds6

About [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate

[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate (PubChem CID 69029119) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate
PubChem CID69029119
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O3S/c17-15(18)24-13-7-3-11(4-8-13)20-14(21)9-10-1-5-12(6-2-10)23-16(19)22/h1-8,15H,9H2,(H2,19,22)(H,20,21)
InChIKeyIQCBYMKMZFETCN-UHFFFAOYSA-N
XLogP3.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2354784
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867019
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841536

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate?
The IUPAC name of [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate (CID 69029119) is [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate.
What is the SMILES notation for [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate?
The canonical SMILES for [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate is NC(=O)Oc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate?
The InChIKey is IQCBYMKMZFETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-15(18)24-13-7-3-11(4-8-13)20-14(21)9-10-1-5-12(6-2-10)23-16(19)22/h1-8,15H,9H2,(H2,19,22)(H,20,21).
What are the key properties of [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate?
[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate has a molecular weight of 352.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate is sourced from PubChem (CID 69029119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).