3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

C23H31N3O5S — CID 30578479

IUPAC3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC
InChIInChI=1S/C23H31N3O5S/c1-25-9-8-18-14-17(4-6-20(18)25)21(26-10-12-31-13-11-26)16-24-32(27,28)19-5-7-22(29-2)23(15-19)30-3/h4-7,14-15,21,24H,8-13,16H2,1-3H3/t21-/m1/s1
InChIKeyLHZWJWWYCVHGQV-OAQYLSRUSA-N
MW461.58 g/mol
LogP2.05
Rot. Bonds8

About 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide

3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 30578479) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID30578479
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC
InChIInChI=1S/C23H31N3O5S/c1-25-9-8-18-14-17(4-6-20(18)25)21(26-10-12-31-13-11-26)16-24-32(27,28)19-5-7-22(29-2)23(15-19)30-3/h4-7,14-15,21,24H,8-13,16H2,1-3H3/t21-/m1/s1
InChIKeyLHZWJWWYCVHGQV-OAQYLSRUSA-N
XLogP2.05
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
2,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578468
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578331
2-methoxy-4,5-dimethyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578352
4-methoxy-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16907810
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906
4-fluoro-3-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 16907640
4-fluoro-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 40828975
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 30673568
N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 16907748

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 30578479) is 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is LHZWJWWYCVHGQV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-25-9-8-18-14-17(4-6-20(18)25)21(26-10-12-31-13-11-26)16-24-32(27,28)19-5-7-22(29-2)23(15-19)30-3/h4-7,14-15,21,24H,8-13,16H2,1-3H3/t21-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide?
3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 461.58 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30578479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).