bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane

C32H36N2O2S — CID 89402051

IUPACbis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
SMILESCN(C)C(=O)C(c1ccccc1)c1ccccc1.CN(C)C(=O)C(c1ccccc1)c1ccccc1.S
InChIInChI=1S/2C16H17NO.H2S/c2*1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h2*3-12,15H,1-2H3;1H2
InChIKeyNBDLPWZECYALLS-UHFFFAOYSA-N
MW512.72 g/mol
LogP5.93
Rot. Bonds6

About bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane

bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane (PubChem CID 89402051) has the molecular formula C32H36N2O2S and a molecular weight of 512.72 g/mol. Its IUPAC name is bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane.

Molecular Properties

Compound Namebis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
PubChem CID89402051
Molecular FormulaC32H36N2O2S
Molecular Weight512.72 g/mol
Exact Mass512.25
IUPAC Namebis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
SMILESCN(C)C(=O)C(c1ccccc1)c1ccccc1.CN(C)C(=O)C(c1ccccc1)c1ccccc1.S
InChIInChI=1S/2C16H17NO.H2S/c2*1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h2*3-12,15H,1-2H3;1H2
InChIKeyNBDLPWZECYALLS-UHFFFAOYSA-N
XLogP5.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.72
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N,N-dimethyl-2,2-diphenylacetamide;prop-2-enoic acid
CID 70599028
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(2,2-diphenylacetyl)-methylsulfamic acid
CID 174462025
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
CID 160825317
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
CID 66811490

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane?
The IUPAC name of bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane (CID 89402051) is bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane.
What is the SMILES notation for bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane?
The canonical SMILES for bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane is CN(C)C(=O)C(c1ccccc1)c1ccccc1.CN(C)C(=O)C(c1ccccc1)c1ccccc1.S.
What is the InChIKey of bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane?
The InChIKey is NBDLPWZECYALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17NO.H2S/c2*1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h2*3-12,15H,1-2H3;1H2.
What are the key properties of bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane?
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane has a molecular weight of 512.72 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane is sourced from PubChem (CID 89402051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).