3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide

C22H23N3O4S — CID 53102643

IUPAC3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4c(C)noc4C)cc32)cc1
InChIInChI=1S/C22H23N3O4S/c1-14-4-7-19(8-5-14)22(26)25-11-10-18-9-6-17(12-20(18)25)13-23-30(27,28)21-15(2)24-29-16(21)3/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyZFBBSYFXVFAMGB-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.28
Rot. Bonds5

About 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 53102643) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID53102643
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4c(C)noc4C)cc32)cc1
InChIInChI=1S/C22H23N3O4S/c1-14-4-7-19(8-5-14)22(26)25-11-10-18-9-6-17(12-20(18)25)13-23-30(27,28)21-15(2)24-29-16(21)3/h4-9,12,23H,10-11,13H2,1-3H3
InChIKeyZFBBSYFXVFAMGB-UHFFFAOYSA-N
XLogP3.28
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
CID 53102511
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102597

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 53102643) is 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4c(C)noc4C)cc32)cc1.
What is the InChIKey of 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is ZFBBSYFXVFAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14-4-7-19(8-5-14)22(26)25-11-10-18-9-6-17(12-20(18)25)13-23-30(27,28)21-15(2)24-29-16(21)3/h4-9,12,23H,10-11,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53102643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).