1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide

C19H27N3O4S — CID 110351456

IUPAC1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1
InChIInChI=1S/C19H27N3O4S/c1-13(2)10-16(19(24)22-8-4-5-9-22)20-27(25,26)15-6-7-17-14(11-15)12-18(23)21(17)3/h6-7,11,13,16,20H,4-5,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyINGJJKNWTIKEKA-INIZCTEOSA-N
MW393.51 g/mol
LogP1.52
Rot. Bonds6

About 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110351456) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID110351456
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1
InChIInChI=1S/C19H27N3O4S/c1-13(2)10-16(19(24)22-8-4-5-9-22)20-27(25,26)15-6-7-17-14(11-15)12-18(23)21(17)3/h6-7,11,13,16,20H,4-5,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyINGJJKNWTIKEKA-INIZCTEOSA-N
XLogP1.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
CID 110347532
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443
1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
CID 110289697
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide (CID 110351456) is 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide is CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1.
What is the InChIKey of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is INGJJKNWTIKEKA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)10-16(19(24)22-8-4-5-9-22)20-27(25,26)15-6-7-17-14(11-15)12-18(23)21(17)3/h6-7,11,13,16,20H,4-5,8-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110351456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).