2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

C25H26N2O4S — CID 100795964

IUPAC2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-18-13-14-23(31-3)24(15-18)32(29,30)26(21-10-5-4-6-11-21)17-25(28)27-19(2)16-20-9-7-8-12-22(20)27/h4-15,19H,16-17H2,1-3H3/t19-/m0/s1
InChIKeyIXBPAJISMZSQHI-IBGZPJMESA-N
MW450.56 g/mol
LogP4.18
Rot. Bonds6

About 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide

2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (PubChem CID 100795964) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
PubChem CID100795964
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-18-13-14-23(31-3)24(15-18)32(29,30)26(21-10-5-4-6-11-21)17-25(28)27-19(2)16-20-9-7-8-12-22(20)27/h4-15,19H,16-17H2,1-3H3/t19-/m0/s1
InChIKeyIXBPAJISMZSQHI-IBGZPJMESA-N
XLogP4.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100797059
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 133180007
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-phenylbenzenesulfonamide
CID 2981959
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 1251467
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzenesulfonamide
CID 2971614
N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 124560578
2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylbenzenesulfonamide
CID 126391031
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133255066
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide (CID 100795964) is 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1c2ccccc2C[C@@H]1C)c1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
The InChIKey is IXBPAJISMZSQHI-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-13-14-23(31-3)24(15-18)32(29,30)26(21-10-5-4-6-11-21)17-25(28)27-19(2)16-20-9-7-8-12-22(20)27/h4-15,19H,16-17H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide?
2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 100795964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).