N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide

C23H31N5O4S — CID 137499554

IUPACN-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)C
InChIInChI=1S/C23H31N5O4S/c1-14(2)28-18(13-27(4)15(3)29)12-21(25-28)33(31,32)26-23(30)24-22-19-9-5-7-16(19)11-17-8-6-10-20(17)22/h11-12,14H,5-10,13H2,1-4H3,(H2,24,26,30)
InChIKeySNJDWKQNIAKPHQ-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.93
Rot. Bonds6

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

N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide (PubChem CID 137499554) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide
PubChem CID137499554
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC NameN-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)C
InChIInChI=1S/C23H31N5O4S/c1-14(2)28-18(13-27(4)15(3)29)12-21(25-28)33(31,32)26-23(30)24-22-19-9-5-7-16(19)11-17-8-6-10-20(17)22/h11-12,14H,5-10,13H2,1-4H3,(H2,24,26,30)
InChIKeySNJDWKQNIAKPHQ-UHFFFAOYSA-N
XLogP2.93
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide (CID 137499554) is N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)C.
What is the InChIKey of N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is SNJDWKQNIAKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-14(2)28-18(13-27(4)15(3)29)12-21(25-28)33(31,32)26-23(30)24-22-19-9-5-7-16(19)11-17-8-6-10-20(17)22/h11-12,14H,5-10,13H2,1-4H3,(H2,24,26,30).
What are the key properties of N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide?
N-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 473.60 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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)-1-propan-2-ylpyrazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 137499554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).