2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

C12H24N2O3S — CID 60546576

IUPAC2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCCCCSC(C)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C12H24N2O3S/c1-4-5-8-18-10(2)12(16)14-9-11(15)13-6-7-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWFPAADHJLJOVAP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.79
Rot. Bonds10

About 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (PubChem CID 60546576) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
PubChem CID60546576
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCCCCSC(C)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C12H24N2O3S/c1-4-5-8-18-10(2)12(16)14-9-11(15)13-6-7-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWFPAADHJLJOVAP-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-butylsulfanylpropanoylamino)acetate
CID 134037889
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
CID 119496430
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
CID 111212331

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (CID 60546576) is 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is CCCCSC(C)C(=O)NCC(=O)NCCOC.
What is the InChIKey of 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The InChIKey is WFPAADHJLJOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-5-8-18-10(2)12(16)14-9-11(15)13-6-7-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide has a molecular weight of 276.40 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 60546576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).