3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C20H25N3O4S — CID 17459741

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C20H25N3O4S/c24-19(21-11-10-20(25)23-13-3-4-14-23)9-12-22-28(26,27)18-8-7-16-5-1-2-6-17(16)15-18/h1-2,5-8,15,22H,3-4,9-14H2,(H,21,24)
InChIKeyDUUAMKYQUNBAAF-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.64
Rot. Bonds8

About 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 17459741) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID17459741
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C20H25N3O4S/c24-19(21-11-10-20(25)23-13-3-4-14-23)9-12-22-28(26,27)18-8-7-16-5-1-2-6-17(16)15-18/h1-2,5-8,15,22H,3-4,9-14H2,(H,21,24)
InChIKeyDUUAMKYQUNBAAF-UHFFFAOYSA-N
XLogP1.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55647229
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 17459741) is 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is DUUAMKYQUNBAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c24-19(21-11-10-20(25)23-13-3-4-14-23)9-12-22-28(26,27)18-8-7-16-5-1-2-6-17(16)15-18/h1-2,5-8,15,22H,3-4,9-14H2,(H,21,24).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 403.50 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 17459741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).