N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide

C18H20N2O3S — CID 53102574

IUPACN-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
SMILESCc1cccc(C(=O)N2CCc3ccc(CNS(C)(=O)=O)cc32)c1
InChIInChI=1S/C18H20N2O3S/c1-13-4-3-5-16(10-13)18(21)20-9-8-15-7-6-14(11-17(15)20)12-19-24(2,22)23/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyHFLHEWDLUZYVJL-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.25
Rot. Bonds4

About N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide

N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide (PubChem CID 53102574) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
PubChem CID53102574
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
SMILESCc1cccc(C(=O)N2CCc3ccc(CNS(C)(=O)=O)cc32)c1
InChIInChI=1S/C18H20N2O3S/c1-13-4-3-5-16(10-13)18(21)20-9-8-15-7-6-14(11-17(15)20)12-19-24(2,22)23/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyHFLHEWDLUZYVJL-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102597
5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
CID 53099329
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide (CID 53102574) is N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide is Cc1cccc(C(=O)N2CCc3ccc(CNS(C)(=O)=O)cc32)c1.
What is the InChIKey of N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide?
The InChIKey is HFLHEWDLUZYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-4-3-5-16(10-13)18(21)20-9-8-15-7-6-14(11-17(15)20)12-19-24(2,22)23/h3-7,10-11,19H,8-9,12H2,1-2H3.
What are the key properties of N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide?
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 53102574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).