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

C26H32N4O4S — CID 168940217

IUPACN-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCOCC4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C26H32N4O4S/c1-19-5-6-20-16-24(27-23(20)15-19)22-17-21(7-8-25(22)29-9-3-4-10-29)35(32,33)28(2)18-26(31)30-11-13-34-14-12-30/h5-8,15-17,27H,3-4,9-14,18H2,1-2H3
InChIKeyIOCYFKUNDXCDAA-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.22
Rot. Bonds6

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

N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 168940217) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID168940217
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCOCC4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C26H32N4O4S/c1-19-5-6-20-16-24(27-23(20)15-19)22-17-21(7-8-25(22)29-9-3-4-10-29)35(32,33)28(2)18-26(31)30-11-13-34-14-12-30/h5-8,15-17,27H,3-4,9-14,18H2,1-2H3
InChIKeyIOCYFKUNDXCDAA-UHFFFAOYSA-N
XLogP3.22
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(6-methyl-1H-indol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940909
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
N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 168940511
3-(1H-indol-2-yl)-N-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940223
4-(3-cyanopyrrolidin-1-yl)-3-(1H-indol-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168941216
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-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940994
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
ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
3-(5-methyl-1H-indol-2-yl)-N-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168941161
3-bromo-4-fluoro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940429
2-[methyl-[3-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-4-pyrrolidin-1-ylphenyl]sulfonylamino]acetic acid
CID 168941225

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 168940217) is N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide is Cc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCOCC4)ccc3N3CCCC3)[nH]c2c1.
What is the InChIKey of N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is IOCYFKUNDXCDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-19-5-6-20-16-24(27-23(20)15-19)22-17-21(7-8-25(22)29-9-3-4-10-29)35(32,33)28(2)18-26(31)30-11-13-34-14-12-30/h5-8,15-17,27H,3-4,9-14,18H2,1-2H3.
What are the key properties of N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 496.63 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 168940217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).