CID 155388725

C23H31N5NaO3S — CID 155388725

IUPAC—
SMILESCN1C=C(C=N1)N(C2CCCNC2)S(=O)(=O)NC(=O)CC3=C4CCCC4=CC5=C3CCC5.[Na]
InChIInChI=1S/C23H31N5O3S.Na/c1-27-15-19(14-25-27)28(18-7-4-10-24-13-18)32(30,31)26-23(29)12-22-20-8-2-5-16(20)11-17-6-3-9-21(17)22;/h11,14-15,18,24H,2-10,12-13H2,1H3,(H,26,29);
InChIKeyLCYGNACMNUNQSW-UHFFFAOYSA-N
MW480.60 g/mol
LogP—
Rot. Bonds6

About CID 155388725

CID 155388725 (PubChem CID 155388725) has the molecular formula C23H31N5NaO3S and a molecular weight of 480.60 g/mol.

Molecular Properties

Compound NameCID 155388725
PubChem CID155388725
Molecular FormulaC23H31N5NaO3S
Molecular Weight480.60 g/mol
Exact Mass480.20
IUPAC Name—
SMILESCN1C=C(C=N1)N(C2CCCNC2)S(=O)(=O)NC(=O)CC3=C4CCCC4=CC5=C3CCC5.[Na]
InChIInChI=1S/C23H31N5O3S.Na/c1-27-15-19(14-25-27)28(18-7-4-10-24-13-18)32(30,31)26-23(29)12-22-20-8-2-5-16(20)11-17-6-3-9-21(17)22;/h11,14-15,18,24H,2-10,12-13H2,1H3,(H,26,29);
InChIKeyLCYGNACMNUNQSW-UHFFFAOYSA-N
XLogP—
TPSA105.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity767

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 155388725?
The IUPAC name of CID 155388725 (CID 155388725) is not available.
What is the SMILES notation for CID 155388725?
The canonical SMILES for CID 155388725 is CN1C=C(C=N1)N(C2CCCNC2)S(=O)(=O)NC(=O)CC3=C4CCCC4=CC5=C3CCC5.[Na].
What is the InChIKey of CID 155388725?
The InChIKey is LCYGNACMNUNQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S.Na/c1-27-15-19(14-25-27)28(18-7-4-10-24-13-18)32(30,31)26-23(29)12-22-20-8-2-5-16(20)11-17-6-3-9-21(17)22;/h11,14-15,18,24H,2-10,12-13H2,1H3,(H,26,29);.
What are the key properties of CID 155388725?
CID 155388725 has a molecular weight of 480.60 g/mol, XLogP of not available, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155388725 is sourced from PubChem (CID 155388725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).