N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C25H32N2O4S — CID 125048768

IUPACN-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C2CCCCC2)cc1
InChIInChI=1S/C25H32N2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)26(21-10-5-4-6-11-21)18-25(28)27-19(2)17-20-9-7-8-12-24(20)27/h7-9,12-16,19,21H,3-6,10-11,17-18H2,1-2H3/t19-/m1/s1
InChIKeyMBSJCIRKSVKPAE-LJQANCHMSA-N
MW456.61 g/mol
LogP4.39
Rot. Bonds7

About N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 125048768) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID125048768
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C2CCCCC2)cc1
InChIInChI=1S/C25H32N2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)26(21-10-5-4-6-11-21)18-25(28)27-19(2)17-20-9-7-8-12-24(20)27/h7-9,12-16,19,21H,3-6,10-11,17-18H2,1-2H3/t19-/m1/s1
InChIKeyMBSJCIRKSVKPAE-LJQANCHMSA-N
XLogP4.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-fluoro-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100790983
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
N-cyclohexyl-3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179753
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
3-chloro-N-cyclohexyl-4-methoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133178440
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
methyl 4-[2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133159320
methyl (2S)-4-[2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100797629
N-cyclopentyl-4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788659
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088
4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133159289

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 125048768) is N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is MBSJCIRKSVKPAE-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-3-31-22-13-15-23(16-14-22)32(29,30)26(21-10-5-4-6-11-21)18-25(28)27-19(2)17-20-9-7-8-12-24(20)27/h7-9,12-16,19,21H,3-6,10-11,17-18H2,1-2H3/t19-/m1/s1.
What are the key properties of N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 125048768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).