N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide

C27H34N4O5S — CID 168940887

IUPACN-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCO[C@H](CO)C4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C27H34N4O5S/c1-19-5-6-20-14-25(28-24(20)13-19)23-15-22(7-8-26(23)30-9-3-4-10-30)37(34,35)29(2)17-27(33)31-11-12-36-21(16-31)18-32/h5-8,13-15,21,28,32H,3-4,9-12,16-18H2,1-2H3/t21-/m0/s1
InChIKeyJRHOUQZJSMXRNG-NRFANRHFSA-N
MW526.66 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide

N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168940887) has the molecular formula C27H34N4O5S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168940887
Molecular FormulaC27H34N4O5S
Molecular Weight526.66 g/mol
Exact Mass526.22
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCO[C@H](CO)C4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C27H34N4O5S/c1-19-5-6-20-14-25(28-24(20)13-19)23-15-22(7-8-26(23)30-9-3-4-10-30)37(34,35)29(2)17-27(33)31-11-12-36-21(16-31)18-32/h5-8,13-15,21,28,32H,3-4,9-12,16-18H2,1-2H3/t21-/m0/s1
InChIKeyJRHOUQZJSMXRNG-NRFANRHFSA-N
XLogP2.58
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide with MolForge

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Related Compounds

N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940217
N-methyl-3-(6-methyl-1H-indol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940909
N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 168940511
4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168941222
3-(1H-indol-2-yl)-N-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940223
3-(5-methyl-1H-indol-2-yl)-N-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168941161
4-(3-cyanopyrrolidin-1-yl)-3-(1H-indol-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168941216
N-methyl-3-(6-methyl-1H-indol-2-yl)-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfinamide
CID 168940550
3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940994
1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901752
ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(4-methylphenyl)sulfanylethanone
CID 81209125

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 168940887) is N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide is Cc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCO[C@H](CO)C4)ccc3N3CCCC3)[nH]c2c1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is JRHOUQZJSMXRNG-NRFANRHFSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-19-5-6-20-14-25(28-24(20)13-19)23-15-22(7-8-26(23)30-9-3-4-10-30)37(34,35)29(2)17-27(33)31-11-12-36-21(16-31)18-32/h5-8,13-15,21,28,32H,3-4,9-12,16-18H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 526.66 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168940887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).