2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide

C20H25NOS — CID 3702485

IUPAC2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c1-3-15-21(16-4-2)20(22)19(17-11-7-5-8-12-17)23-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyHWAAQIPBOVLUCP-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.17
Rot. Bonds8

About 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide

2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide (PubChem CID 3702485) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
PubChem CID3702485
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS/c1-3-15-21(16-4-2)20(22)19(17-11-7-5-8-12-17)23-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyHWAAQIPBOVLUCP-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 40635886
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
N-methyl-2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
CID 78844000
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
CID 112795257
N-[(2-fluorophenyl)methyl]-N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 112789886
S-benzyl 2-phenyl-2-phenylsulfanylethanethioate
CID 101162802
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide (CID 3702485) is 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide?
The InChIKey is HWAAQIPBOVLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-3-15-21(16-4-2)20(22)19(17-11-7-5-8-12-17)23-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.
What are the key properties of 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide?
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide has a molecular weight of 327.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide is sourced from PubChem (CID 3702485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).