3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid

C19H22N2O5S — CID 119256637

IUPAC3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O5S/c1-19(18(23)24)9-11-21(13-19)17(22)8-10-20-27(25,26)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13H2,1H3,(H,23,24)
InChIKeyMCWCTILQMNQMFP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.83
Rot. Bonds6

About 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119256637) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119256637
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C19H22N2O5S/c1-19(18(23)24)9-11-21(13-19)17(22)8-10-20-27(25,26)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13H2,1H3,(H,23,24)
InChIKeyMCWCTILQMNQMFP-UHFFFAOYSA-N
XLogP1.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
3-acetyl-N-[3-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99784244
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
1-[[3-(butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122074858
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid (CID 119256637) is 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MCWCTILQMNQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-19(18(23)24)9-11-21(13-19)17(22)8-10-20-27(25,26)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,20H,8-11,13H2,1H3,(H,23,24).
What are the key properties of 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 390.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).