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

C21H27N3O4S — CID 39948497

IUPAC4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H27N3O4S/c25-20(22-13-11-21(26)24-14-3-4-15-24)8-5-12-23-29(27,28)19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,23H,3-5,8,11-15H2,(H,22,25)
InChIKeyLUSILCNHHHGKHN-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.03
Rot. Bonds9

About 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide

4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 39948497) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID39948497
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C21H27N3O4S/c25-20(22-13-11-21(26)24-14-3-4-15-24)8-5-12-23-29(27,28)19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,23H,3-5,8,11-15H2,(H,22,25)
InChIKeyLUSILCNHHHGKHN-UHFFFAOYSA-N
XLogP2.03
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
CID 41203632
N-[3-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]propyl]naphthalene-2-sulfonamide
CID 42321320
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
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide (CID 39948497) is 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is O=C(CCCNS(=O)(=O)c1ccc2ccccc2c1)NCCC(=O)N1CCCC1.
What is the InChIKey of 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is LUSILCNHHHGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c25-20(22-13-11-21(26)24-14-3-4-15-24)8-5-12-23-29(27,28)19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,23H,3-5,8,11-15H2,(H,22,25).
What are the key properties of 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide?
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 417.53 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 39948497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).