N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide

C20H30N2O4S — CID 69356260

IUPACN-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCN1CCCOc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15(2)27(24,25)21-19-5-3-12-22(19)13-4-14-26-18-10-8-17(9-11-18)20(23)16-6-7-16/h8-11,15-16,19,21H,3-7,12-14H2,1-2H3
InChIKeyKAKMTUZAHLHOQX-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.80
Rot. Bonds10

About N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide

N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide (PubChem CID 69356260) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
PubChem CID69356260
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCN1CCCOc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-15(2)27(24,25)21-19-5-3-12-22(19)13-4-14-26-18-10-8-17(9-11-18)20(23)16-6-7-16/h8-11,15-16,19,21H,3-7,12-14H2,1-2H3
InChIKeyKAKMTUZAHLHOQX-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-2-sulfanylbenzenesulfonamide
CID 91304085
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
CID 69355941
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 69355524
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 87797176
3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
CID 69356367
5-chloro-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 69355327
(2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 12016525
(5R)-3-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
CID 69355872
cyclopropyl-[4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propoxy]phenyl]methanone
CID 70191939
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide
CID 69356018
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-methylbutan-1-one
CID 102463540
[(2R)-1-[(1R,4R)-5-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]carbamic acid
CID 70191924

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide (CID 69356260) is N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCN1CCCOc1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide?
The InChIKey is KAKMTUZAHLHOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15(2)27(24,25)21-19-5-3-12-22(19)13-4-14-26-18-10-8-17(9-11-18)20(23)16-6-7-16/h8-11,15-16,19,21H,3-7,12-14H2,1-2H3.
What are the key properties of N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide?
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 69356260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).