N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C20H23NOS — CID 55609181

IUPACN-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1
InChIInChI=1S/C20H23NOS/c1-13(2)12-21(16-9-10-16)20(22)18-11-15-8-7-14-5-3-4-6-17(14)19(15)23-18/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyCINLLRJZONVWBW-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.77
Rot. Bonds4

About N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 55609181) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID55609181
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1
InChIInChI=1S/C20H23NOS/c1-13(2)12-21(16-9-10-16)20(22)18-11-15-8-7-14-5-3-4-6-17(14)19(15)23-18/h3-6,11,13,16H,7-10,12H2,1-2H3
InChIKeyCINLLRJZONVWBW-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 55609181) is N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is CC(C)CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is CINLLRJZONVWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-13(2)12-21(16-9-10-16)20(22)18-11-15-8-7-14-5-3-4-6-17(14)19(15)23-18/h3-6,11,13,16H,7-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 55609181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).