CID 155390020

C20H27N5NaO3S — CID 155390020

IUPAC—
SMILESCn1cc(N(CCN)S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)cn1.[Na]
InChIInChI=1S/C20H27N5O3S.Na/c1-24-13-16(12-22-24)25(9-8-21)29(27,28)23-20(26)11-19-17-6-2-4-14(17)10-15-5-3-7-18(15)19;/h10,12-13H,2-9,11,21H2,1H3,(H,23,26);
InChIKeyBEOFNHLQYIUTKX-UHFFFAOYSA-N
MW440.53 g/mol
LogP0.39
Rot. Bonds7

About CID 155390020

CID 155390020 (PubChem CID 155390020) has the molecular formula C20H27N5NaO3S and a molecular weight of 440.53 g/mol.

Molecular Properties

Compound NameCID 155390020
PubChem CID155390020
Molecular FormulaC20H27N5NaO3S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Name—
SMILESCn1cc(N(CCN)S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)cn1.[Na]
InChIInChI=1S/C20H27N5O3S.Na/c1-24-13-16(12-22-24)25(9-8-21)29(27,28)23-20(26)11-19-17-6-2-4-14(17)10-15-5-3-7-18(15)19;/h10,12-13H,2-9,11,21H2,1H3,(H,23,26);
InChIKeyBEOFNHLQYIUTKX-UHFFFAOYSA-N
XLogP0.39
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
CID 155389576
CID 155388725
CID 155388725
disodium;N-[2-acetamidoethyl-(1-methylpyrazol-4-yl)sulfamoyl]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanimidate;N-[2-aminoethyl-(1-methylpyrazol-4-yl)sulfamoyl]-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanimidate
CID 167661153
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-[[(2R)-oxan-2-yl]methyl]sulfamoyl]urea
CID 170689309
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155225377
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
1-[2-(dimethylamino)ethyl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155388534
2-[3,5-di(propan-2-yl)phenyl]-N-[(1-methylpyrazol-4-yl)-(oxolan-2-ylmethyl)sulfamoyl]acetamide
CID 164929724
CID 155225437
CID 155225437
CID 155225310
CID 155225310
CID 175825416
CID 175825416
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1-[(1-methylazetidin-2-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]-1-oxidourea
CID 163583527

Frequently Asked Questions

What is the IUPAC name of CID 155390020?
The IUPAC name of CID 155390020 (CID 155390020) is not available.
What is the SMILES notation for CID 155390020?
The canonical SMILES for CID 155390020 is Cn1cc(N(CCN)S(=O)(=O)NC(=O)Cc2c3c(cc4c2CCC4)CCC3)cn1.[Na].
What is the InChIKey of CID 155390020?
The InChIKey is BEOFNHLQYIUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S.Na/c1-24-13-16(12-22-24)25(9-8-21)29(27,28)23-20(26)11-19-17-6-2-4-14(17)10-15-5-3-7-18(15)19;/h10,12-13H,2-9,11,21H2,1H3,(H,23,26);.
What are the key properties of CID 155390020?
CID 155390020 has a molecular weight of 440.53 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155390020 is sourced from PubChem (CID 155390020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).