2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide

C21H29N5O3S — CID 155389576

IUPAC2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
SMILESCNCCN(c1cnn(C)c1)S(=O)(=O)NC(=O)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C21H29N5O3S/c1-22-9-10-26(17-13-23-25(2)14-17)30(28,29)24-21(27)12-20-18-7-3-5-15(18)11-16-6-4-8-19(16)20/h11,13-14,22H,3-10,12H2,1-2H3,(H,24,27)
InChIKeyZKNOGFFCLRKPSH-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.03
Rot. Bonds8

About 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide

2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide (PubChem CID 155389576) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
PubChem CID155389576
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide
SMILESCNCCN(c1cnn(C)c1)S(=O)(=O)NC(=O)Cc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C21H29N5O3S/c1-22-9-10-26(17-13-23-25(2)14-17)30(28,29)24-21(27)12-20-18-7-3-5-15(18)11-16-6-4-8-19(16)20/h11,13-14,22H,3-10,12H2,1-2H3,(H,24,27)
InChIKeyZKNOGFFCLRKPSH-UHFFFAOYSA-N
XLogP1.03
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155390020
CID 155390020
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
sodium;benzyl N-(2-hydroxyethyl)carbamate;benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-propylcarbamate;[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetyl]-[(1-methylpyrazol-4-yl)-[2-(phenylmethoxycarbonylamino)ethyl]sulfamoyl]azanide
CID 167698525
CID 155225437
CID 155225437
CID 155225310
CID 155225310
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 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide (CID 155389576) is 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide is CNCCN(c1cnn(C)c1)S(=O)(=O)NC(=O)Cc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
The InChIKey is ZKNOGFFCLRKPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-22-9-10-26(17-13-23-25(2)14-17)30(28,29)24-21(27)12-20-18-7-3-5-15(18)11-16-6-4-8-19(16)20/h11,13-14,22H,3-10,12H2,1-2H3,(H,24,27).
What are the key properties of 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide?
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]acetamide is sourced from PubChem (CID 155389576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).