N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide

C18H25N3O4S — CID 18574773

IUPACN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-14-7-4-5-8-14)19-13-15-9-6-12-21(15)26(24,25)16-10-2-1-3-11-16/h1-3,10-11,14-15H,4-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyYJNMEZCGFBCFOY-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.01
Rot. Bonds5

About N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide

N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide (PubChem CID 18574773) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
PubChem CID18574773
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C18H25N3O4S/c22-17(18(23)20-14-7-4-5-8-14)19-13-15-9-6-12-21(15)26(24,25)16-10-2-1-3-11-16/h1-3,10-11,14-15H,4-9,12-13H2,(H,19,22)(H,20,23)
InChIKeyYJNMEZCGFBCFOY-UHFFFAOYSA-N
XLogP1.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286154
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286315
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-cyclohexyloxamide
CID 7032144
N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 7286014
ethyl 2-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286054
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-cyclopentyloxamide
CID 41195965
1-cyclooctyl-3-[[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]methyl]urea
CID 173136198
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide?
The IUPAC name of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide (CID 18574773) is N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide is O=C(NCC1CCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide?
The InChIKey is YJNMEZCGFBCFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-17(18(23)20-14-7-4-5-8-14)19-13-15-9-6-12-21(15)26(24,25)16-10-2-1-3-11-16/h1-3,10-11,14-15H,4-9,12-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide?
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide has a molecular weight of 379.48 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide is sourced from PubChem (CID 18574773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).