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

C17H18N2O3S2 — CID 24761476

IUPACN-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S2/c1-23-16-6-4-3-5-14(16)18-17(20)13-7-8-15-12(11-13)9-10-19(15)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyDXDNHLKPJUTZNN-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.98
Rot. Bonds4

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

N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 24761476) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID24761476
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H18N2O3S2/c1-23-16-6-4-3-5-14(16)18-17(20)13-7-8-15-12(11-13)9-10-19(15)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyDXDNHLKPJUTZNN-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
CID 1082868
N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085737
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
S-[2-[4-(2,3-dihydro-1H-indol-6-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11625292
S-[2-[4-(2,3-dihydro-1H-indol-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 17754923
S-[2-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 17754925
N-(2,6-dimethylphenyl)-1-(methylsulfonyl)indoline-5-carboxamide
CID 5295578
N-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)indoline-5-carboxamide
CID 5295583
5-[2-(4-Methylphenyl)sulfanylethanoyl]-1,3-Dihydroindol-2-One
CID 137349604
N-(4-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide
CID 847684
N-(2,4-Dimethylphenyl)-1-methanesulfonyl-2,3-dihydro-1H-indole-5-carboxamide
CID 1085726
4-[methyl(methylsulfonyl)amino]-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 1091455

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 24761476) is N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CSc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DXDNHLKPJUTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-23-16-6-4-3-5-14(16)18-17(20)13-7-8-15-12(11-13)9-10-19(15)24(2,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 24761476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).