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

C16H21N3O4S — CID 110347532

IUPAC1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1
InChIInChI=1S/C16H21N3O4S/c1-11(16(21)19-7-3-4-8-19)17-24(22,23)13-5-6-14-12(9-13)10-15(20)18(14)2/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyROLOLGQUNKQHOV-NSHDSACASA-N
MW351.43 g/mol
LogP0.49
Rot. Bonds4

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

1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide (PubChem CID 110347532) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
PubChem CID110347532
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1
InChIInChI=1S/C16H21N3O4S/c1-11(16(21)19-7-3-4-8-19)17-24(22,23)13-5-6-14-12(9-13)10-15(20)18(14)2/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1
InChIKeyROLOLGQUNKQHOV-NSHDSACASA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide with MolForge

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Related Compounds

1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
1-methyl-2-oxo-N-(1-pyridin-4-ylethyl)-3H-indole-5-sulfonamide
CID 110724562
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
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-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide (CID 110347532) is 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(=O)N1CCCC1.
What is the InChIKey of 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide?
The InChIKey is ROLOLGQUNKQHOV-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11(16(21)19-7-3-4-8-19)17-24(22,23)13-5-6-14-12(9-13)10-15(20)18(14)2/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide is sourced from PubChem (CID 110347532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).