3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

C16H31NO7S — CID 142541968

IUPAC3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(=O)CC(=O)NCCOCCOCCOCCOCCOCCS
InChIInChI=1S/C16H31NO7S/c1-15(18)14-16(19)17-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25/h25H,2-14H2,1H3,(H,17,19)
InChIKeyNTWNRIPDILHKRS-UHFFFAOYSA-N
MW381.49 g/mol
LogP0.09
Rot. Bonds19

About 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 142541968) has the molecular formula C16H31NO7S and a molecular weight of 381.49 g/mol. Its IUPAC name is 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
PubChem CID142541968
Molecular FormulaC16H31NO7S
Molecular Weight381.49 g/mol
Exact Mass381.18
IUPAC Name3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
SMILESCC(=O)CC(=O)NCCOCCOCCOCCOCCOCCS
InChIInChI=1S/C16H31NO7S/c1-15(18)14-16(19)17-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25/h25H,2-14H2,1H3,(H,17,19)
InChIKeyNTWNRIPDILHKRS-UHFFFAOYSA-N
XLogP0.09
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
4-oxo-4-[2-(2-sulfanylethoxy)ethylamino]butanoyl fluoride
CID 154676723
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 142541968) is 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is CC(=O)CC(=O)NCCOCCOCCOCCOCCOCCS.
What is the InChIKey of 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is NTWNRIPDILHKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO7S/c1-15(18)14-16(19)17-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25/h25H,2-14H2,1H3,(H,17,19).
What are the key properties of 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?
3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 381.49 g/mol, XLogP of 0.09, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 142541968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).