1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea

C24H35N3O3S — CID 154996926

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea
SMILESCC(C)CN1CCCC1(C)/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C24H35N3O3S/c1-17(2)16-27-13-6-11-24(27,3)12-14-31(29,30)26-23(28)25-22-20-9-4-7-18(20)15-19-8-5-10-21(19)22/h12,14-15,17H,4-11,13,16H2,1-3H3,(H2,25,26,28)/b14-12+
InChIKeyDEHGPTYMCGLXHE-WYMLVPIESA-N
MW445.63 g/mol
LogP4.14
Rot. Bonds6

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea (PubChem CID 154996926) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea
PubChem CID154996926
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea
SMILESCC(C)CN1CCCC1(C)/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C24H35N3O3S/c1-17(2)16-27-13-6-11-24(27,3)12-14-31(29,30)26-23(28)25-22-20-9-4-7-18(20)15-19-8-5-10-21(19)22/h12,14-15,17H,4-11,13,16H2,1-3H3,(H2,25,26,28)/b14-12+
InChIKeyDEHGPTYMCGLXHE-WYMLVPIESA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea with MolForge

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Related Compounds

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CID 154996682
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CID 175838123
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CID 154996826
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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea (CID 154996926) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea is CC(C)CN1CCCC1(C)/C=C/S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea?
The InChIKey is DEHGPTYMCGLXHE-WYMLVPIESA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-17(2)16-27-13-6-11-24(27,3)12-14-31(29,30)26-23(28)25-22-20-9-4-7-18(20)15-19-8-5-10-21(19)22/h12,14-15,17H,4-11,13,16H2,1-3H3,(H2,25,26,28)/b14-12+.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea has a molecular weight of 445.63 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-2-[2-methyl-1-(2-methylpropyl)pyrrolidin-2-yl]ethenyl]sulfonylurea is sourced from PubChem (CID 154996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).