N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C18H20N2O3S — CID 1085726

IUPACN-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-16(13(2)10-12)19-18(21)15-5-7-17-14(11-15)8-9-20(17)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyYZJLCKNNCYVBHX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.88
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 1085726) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID1085726
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-16(13(2)10-12)19-18(21)15-5-7-17-14(11-15)8-9-20(17)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKeyYZJLCKNNCYVBHX-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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acs.jmedchem.1c00409_ST.181
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 1085726) is N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is YZJLCKNNCYVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-6-16(13(2)10-12)19-18(21)15-5-7-17-14(11-15)8-9-20(17)24(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 1085726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).