2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide

C19H38N2O2S2 — CID 71326230

IUPAC2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSCCCSCC(=O)N(CCC)CCC
InChIInChI=1S/C19H38N2O2S2/c1-5-10-20(11-6-2)18(22)16-24-14-9-15-25-17-19(23)21(12-7-3)13-8-4/h5-17H2,1-4H3
InChIKeyJKCWGVWKYLXSBO-UHFFFAOYSA-N
MW390.66 g/mol
LogP4.14
Rot. Bonds16

About 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide

2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide (PubChem CID 71326230) has the molecular formula C19H38N2O2S2 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
PubChem CID71326230
Molecular FormulaC19H38N2O2S2
Molecular Weight390.66 g/mol
Exact Mass390.24
IUPAC Name2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSCCCSCC(=O)N(CCC)CCC
InChIInChI=1S/C19H38N2O2S2/c1-5-10-20(11-6-2)18(22)16-24-14-9-15-25-17-19(23)21(12-7-3)13-8-4/h5-17H2,1-4H3
InChIKeyJKCWGVWKYLXSBO-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61236004
2-butylsulfanyl-N,N-diethylacetamide
CID 12528633
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
CID 66103337
4-amino-N,N-dipropylbutanamide
CID 12835718
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
2-[(2-butylsulfanylacetyl)-methylamino]acetic acid
CID 43356278
N,N-dipropylnonadecanamide
CID 12960009
2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-(2-propanoyloxyethyl)amino]ethyl propanoate
CID 169015752
2-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpentanoic acid
CID 114234540
3-[(2-butylsulfanylacetyl)-propan-2-ylamino]propanoic acid
CID 60831611
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide?
The IUPAC name of 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide (CID 71326230) is 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSCCCSCC(=O)N(CCC)CCC.
What is the InChIKey of 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide?
The InChIKey is JKCWGVWKYLXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2S2/c1-5-10-20(11-6-2)18(22)16-24-14-9-15-25-17-19(23)21(12-7-3)13-8-4/h5-17H2,1-4H3.
What are the key properties of 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide?
2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide has a molecular weight of 390.66 g/mol, XLogP of 4.14, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide is sourced from PubChem (CID 71326230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).