N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide

C19H20F2N2OS — CID 139094229

IUPACN-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide
SMILESCN(C)C(=S)CN(C(=O)C(F)F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20F2N2OS/c1-22(2)16(25)13-23(19(24)18(20)21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-18H,13H2,1-2H3
InChIKeyIWLMBLMZXALXRA-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.76
Rot. Bonds6

About N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide

N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide (PubChem CID 139094229) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide
PubChem CID139094229
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide
SMILESCN(C)C(=S)CN(C(=O)C(F)F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20F2N2OS/c1-22(2)16(25)13-23(19(24)18(20)21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-18H,13H2,1-2H3
InChIKeyIWLMBLMZXALXRA-UHFFFAOYSA-N
XLogP3.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(benzhydryl)amino]-N,N-dimethylacetamide
CID 122392355
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
1-phenylethyl(propyl)carbamic acid
CID 57360234
N-acetyl-2,2-difluoro-N-phenylacetamide
CID 175560848
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide?
The IUPAC name of N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide (CID 139094229) is N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide is CN(C)C(=S)CN(C(=O)C(F)F)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide?
The InChIKey is IWLMBLMZXALXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c1-22(2)16(25)13-23(19(24)18(20)21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-18H,13H2,1-2H3.
What are the key properties of N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide?
N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide has a molecular weight of 362.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-[2-(dimethylamino)-2-sulfanylideneethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 139094229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).