CID 162245041

C16H20N2NaO4S2 — CID 162245041

IUPAC—
SMILESO=C(Nc1cccs1)OCCCCCCOC(=O)Nc1cccs1.[Na]
InChIInChI=1S/C16H20N2O4S2.Na/c19-15(17-13-7-5-11-23-13)21-9-3-1-2-4-10-22-16(20)18-14-8-6-12-24-14;/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20);
InChIKeyZXFJAMXEWHABRA-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.79
Rot. Bonds9

About CID 162245041

CID 162245041 (PubChem CID 162245041) has the molecular formula C16H20N2NaO4S2 and a molecular weight of 391.47 g/mol.

Molecular Properties

Compound NameCID 162245041
PubChem CID162245041
Molecular FormulaC16H20N2NaO4S2
Molecular Weight391.47 g/mol
Exact Mass391.08
IUPAC Name—
SMILESO=C(Nc1cccs1)OCCCCCCOC(=O)Nc1cccs1.[Na]
InChIInChI=1S/C16H20N2O4S2.Na/c19-15(17-13-7-5-11-23-13)21-9-3-1-2-4-10-22-16(20)18-14-8-6-12-24-14;/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20);
InChIKeyZXFJAMXEWHABRA-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-amino-N-thiophen-2-ylpropanamide
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dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of CID 162245041?
The IUPAC name of CID 162245041 (CID 162245041) is not available.
What is the SMILES notation for CID 162245041?
The canonical SMILES for CID 162245041 is O=C(Nc1cccs1)OCCCCCCOC(=O)Nc1cccs1.[Na].
What is the InChIKey of CID 162245041?
The InChIKey is ZXFJAMXEWHABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2.Na/c19-15(17-13-7-5-11-23-13)21-9-3-1-2-4-10-22-16(20)18-14-8-6-12-24-14;/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20);.
What are the key properties of CID 162245041?
CID 162245041 has a molecular weight of 391.47 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162245041 is sourced from PubChem (CID 162245041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).