N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide

C21H31N3O4S — CID 142529684

IUPACN-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)(C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C21H31N3O4S/c1-14(25)24(4)12-21(2,3)13-29(27,28)23-20(26)22-19-17-9-5-7-15(17)11-16-8-6-10-18(16)19/h11H,5-10,12-13H2,1-4H3,(H2,22,23,26)
InChIKeyTUBAWCNDPHXPPC-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.62
Rot. Bonds6

About N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide

N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide (PubChem CID 142529684) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide
PubChem CID142529684
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC NameN-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(C)(C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C21H31N3O4S/c1-14(25)24(4)12-21(2,3)13-29(27,28)23-20(26)22-19-17-9-5-7-15(17)11-16-8-6-10-18(16)19/h11H,5-10,12-13H2,1-4H3,(H2,22,23,26)
InChIKeyTUBAWCNDPHXPPC-UHFFFAOYSA-N
XLogP2.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide with MolForge

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Related Compounds

CID 175743982
CID 175743982
CID 175947030
CID 175947030
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
1-[2-[[cyclopropyl(methyl)amino]methyl]prop-2-enylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224160
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
N-acetyl-4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529593
1-[3-(dipropylamino)-2-methylpropyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529580
4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)butanamide
CID 142529569

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide?
The IUPAC name of N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide (CID 142529684) is N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide?
The canonical SMILES for N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide is CC(=O)N(C)CC(C)(C)CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide?
The InChIKey is TUBAWCNDPHXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-14(25)24(4)12-21(2,3)13-29(27,28)23-20(26)22-19-17-9-5-7-15(17)11-16-8-6-10-18(16)19/h11H,5-10,12-13H2,1-4H3,(H2,22,23,26).
What are the key properties of N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide?
N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide has a molecular weight of 421.56 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,2-dimethylpropyl]-N-methylacetamide is sourced from PubChem (CID 142529684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).