CID 175743982

C19H28KN4O4S — CID 175743982

IUPAC—
SMILESCC(=O)N(C)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H28N4O4S.K/c1-13(24)22(2)10-11-23(3)28(26,27)21-19(25)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;/h12H,4-11H2,1-3H3,(H2,20,21,25);
InChIKeyBPJKYHWCQNBIRI-UHFFFAOYSA-N
MW447.62 g/mol
LogP1.06
Rot. Bonds6

About CID 175743982

CID 175743982 (PubChem CID 175743982) has the molecular formula C19H28KN4O4S and a molecular weight of 447.62 g/mol.

Molecular Properties

Compound NameCID 175743982
PubChem CID175743982
Molecular FormulaC19H28KN4O4S
Molecular Weight447.62 g/mol
Exact Mass447.15
IUPAC Name—
SMILESCC(=O)N(C)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K]
InChIInChI=1S/C19H28N4O4S.K/c1-13(24)22(2)10-11-23(3)28(26,27)21-19(25)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;/h12H,4-11H2,1-3H3,(H2,20,21,25);
InChIKeyBPJKYHWCQNBIRI-UHFFFAOYSA-N
XLogP1.06
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]sulfamoyl]urea
CID 146394318
CID 175947030
CID 175947030
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-3-[methyl(methylsulfonyl)amino]prop-1-enyl]sulfonylurea
CID 156840081
CID 175753183
CID 175753183
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide
CID 137499517
CID 175753214
CID 175753214
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpyrimidine-5-carboxamide
CID 137404276
CID 175710616
CID 175710616

Frequently Asked Questions

What is the IUPAC name of CID 175743982?
The IUPAC name of CID 175743982 (CID 175743982) is not available.
What is the SMILES notation for CID 175743982?
The canonical SMILES for CID 175743982 is CC(=O)N(C)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.[K].
What is the InChIKey of CID 175743982?
The InChIKey is BPJKYHWCQNBIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S.K/c1-13(24)22(2)10-11-23(3)28(26,27)21-19(25)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18;/h12H,4-11H2,1-3H3,(H2,20,21,25);.
What are the key properties of CID 175743982?
CID 175743982 has a molecular weight of 447.62 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175743982 is sourced from PubChem (CID 175743982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).