N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H20N2O4S — CID 31151601

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O4S/c1-12-4-6-15(23-12)11-18(2)17(20)14-5-7-16-13(10-14)8-9-19(16)24(3,21)22/h4-7,10H,8-9,11H2,1-3H3
InChIKeyBLFHMYXRLQHCTG-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 31151601) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID31151601
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)o1
InChIInChI=1S/C17H20N2O4S/c1-12-4-6-15(23-12)11-18(2)17(20)14-5-7-16-13(10-14)8-9-19(16)24(3,21)22/h4-7,10H,8-9,11H2,1-3H3
InChIKeyBLFHMYXRLQHCTG-UHFFFAOYSA-N
XLogP2.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 43017160
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31441418
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31981968
2-[methyl-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119209230
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31333798
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25471969

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 31151601) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BLFHMYXRLQHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-4-6-15(23-12)11-18(2)17(20)14-5-7-16-13(10-14)8-9-19(16)24(3,21)22/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 31151601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).