N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide

C22H29NOS — CID 5102974

IUPACN,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(2)15-23(16-18(3)4)22(24)21(19-11-7-5-8-12-19)25-20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
InChIKeyLZLWMZPQFJRGGQ-UHFFFAOYSA-N
MW355.55 g/mol
LogP5.66
Rot. Bonds8

About N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide

N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 5102974) has the molecular formula C22H29NOS and a molecular weight of 355.55 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID5102974
Molecular FormulaC22H29NOS
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC NameN,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(C)CN(CC(C)C)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NOS/c1-17(2)15-23(16-18(3)4)22(24)21(19-11-7-5-8-12-19)25-20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
InChIKeyLZLWMZPQFJRGGQ-UHFFFAOYSA-N
XLogP5.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 78844000
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 40635886
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
CID 112795259
N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 112789886

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide (CID 5102974) is N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide is CC(C)CN(CC(C)C)C(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is LZLWMZPQFJRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS/c1-17(2)15-23(16-18(3)4)22(24)21(19-11-7-5-8-12-19)25-20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 355.55 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 5102974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).