N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide

C25H28N2O3S — CID 55925214

IUPACN-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C25H28N2O3S/c28-25(27-18-6-11-23(27)14-12-20-7-2-1-3-8-20)16-17-26-31(29,30)24-15-13-21-9-4-5-10-22(21)19-24/h1-5,7-10,13,15,19,23,26H,6,11-12,14,16-18H2
InChIKeyKOMJLYXCMLAVOR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.13
Rot. Bonds8

About N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 55925214) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID55925214
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C25H28N2O3S/c28-25(27-18-6-11-23(27)14-12-20-7-2-1-3-8-20)16-17-26-31(29,30)24-15-13-21-9-4-5-10-22(21)19-24/h1-5,7-10,13,15,19,23,26H,6,11-12,14,16-18H2
InChIKeyKOMJLYXCMLAVOR-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
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-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 119651405
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 22500529

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide (CID 55925214) is N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1CCc1ccccc1.
What is the InChIKey of N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is KOMJLYXCMLAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c28-25(27-18-6-11-23(27)14-12-20-7-2-1-3-8-20)16-17-26-31(29,30)24-15-13-21-9-4-5-10-22(21)19-24/h1-5,7-10,13,15,19,23,26H,6,11-12,14,16-18H2.
What are the key properties of N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 436.58 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 55925214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).