2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide

C30H62N4O6S2 — CID 20789852

IUPAC2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
SMILESCCCCCCCCS(=O)(=O)NCC(=O)NCCCCCCCCCCNC(=O)CNS(=O)(=O)CCCCCCCC
InChIInChI=1S/C30H62N4O6S2/c1-3-5-7-9-17-21-25-41(37,38)33-27-29(35)31-23-19-15-13-11-12-14-16-20-24-32-30(36)28-34-42(39,40)26-22-18-10-8-6-4-2/h33-34H,3-28H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyCSHGRKIEKOVJCY-UHFFFAOYSA-N
MW638.98 g/mol
LogP4.90
Rot. Bonds31

About 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide

2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide (PubChem CID 20789852) has the molecular formula C30H62N4O6S2 and a molecular weight of 638.98 g/mol. Its IUPAC name is 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide.

Molecular Properties

Compound Name2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
PubChem CID20789852
Molecular FormulaC30H62N4O6S2
Molecular Weight638.98 g/mol
Exact Mass638.41
IUPAC Name2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
SMILESCCCCCCCCS(=O)(=O)NCC(=O)NCCCCCCCCCCNC(=O)CNS(=O)(=O)CCCCCCCC
InChIInChI=1S/C30H62N4O6S2/c1-3-5-7-9-17-21-25-41(37,38)33-27-29(35)31-23-19-15-13-11-12-14-16-20-24-32-30(36)28-34-42(39,40)26-22-18-10-8-6-4-2/h33-34H,3-28H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyCSHGRKIEKOVJCY-UHFFFAOYSA-N
XLogP4.90
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.98
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
CID 43567410
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788

Frequently Asked Questions

What is the IUPAC name of 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide?
The IUPAC name of 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide (CID 20789852) is 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide.
What is the SMILES notation for 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide?
The canonical SMILES for 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide is CCCCCCCCS(=O)(=O)NCC(=O)NCCCCCCCCCCNC(=O)CNS(=O)(=O)CCCCCCCC.
What is the InChIKey of 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide?
The InChIKey is CSHGRKIEKOVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62N4O6S2/c1-3-5-7-9-17-21-25-41(37,38)33-27-29(35)31-23-19-15-13-11-12-14-16-20-24-32-30(36)28-34-42(39,40)26-22-18-10-8-6-4-2/h33-34H,3-28H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide?
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide has a molecular weight of 638.98 g/mol, XLogP of 4.90, 31 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide is sourced from PubChem (CID 20789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).