CID 175947030

C19H29KN3O3S — CID 175947030

IUPAC—
SMILESCC(CN(C)C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H29N3O3S.K/c1-13(11-22(2)3)12-26(24,25)21-19(23)20-18-16-8-4-6-14(16)10-15-7-5-9-17(15)18;/h10,13H,4-9,11-12H2,1-3H3,(H2,20,21,23);
InChIKeyWIJDTHVIPFXGET-UHFFFAOYSA-N
MW418.62 g/mol
LogP1.93
Rot. Bonds6

About CID 175947030

CID 175947030 (PubChem CID 175947030) has the molecular formula C19H29KN3O3S and a molecular weight of 418.62 g/mol.

Molecular Properties

Compound NameCID 175947030
PubChem CID175947030
Molecular FormulaC19H29KN3O3S
Molecular Weight418.62 g/mol
Exact Mass418.16
IUPAC Name—
SMILESCC(CN(C)C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H29N3O3S.K/c1-13(11-22(2)3)12-26(24,25)21-19(23)20-18-16-8-4-6-14(16)10-15-7-5-9-17(15)18;/h10,13H,4-9,11-12H2,1-3H3,(H2,20,21,23);
InChIKeyWIJDTHVIPFXGET-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.62
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dipropylamino)-2-methylpropyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide
CID 142529684
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methylsulfonyl]urea
CID 155224223
1-[1-(dimethylamino)propan-2-yl-methylamino]sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146395361
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737
CID 175947056
CID 175947056
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
CID 175825031
CID 175825031
CID 175947001
CID 175947001

Frequently Asked Questions

What is the IUPAC name of CID 175947030?
The IUPAC name of CID 175947030 (CID 175947030) is not available.
What is the SMILES notation for CID 175947030?
The canonical SMILES for CID 175947030 is CC(CN(C)C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K].
What is the InChIKey of CID 175947030?
The InChIKey is WIJDTHVIPFXGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.K/c1-13(11-22(2)3)12-26(24,25)21-19(23)20-18-16-8-4-6-14(16)10-15-7-5-9-17(15)18;/h10,13H,4-9,11-12H2,1-3H3,(H2,20,21,23);.
What are the key properties of CID 175947030?
CID 175947030 has a molecular weight of 418.62 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175947030 is sourced from PubChem (CID 175947030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).