N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C16H23ClN2O4S — CID 5104659

IUPACN-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-2-3-8-18-16(20)12-23-15-7-6-13(11-14(15)17)24(21,22)19-9-4-5-10-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyQVQKRRUSMAMTTE-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.42
Rot. Bonds8

About N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 5104659) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID5104659
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-2-3-8-18-16(20)12-23-15-7-6-13(11-14(15)17)24(21,22)19-9-4-5-10-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyQVQKRRUSMAMTTE-UHFFFAOYSA-N
XLogP2.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 126394799
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 4587367
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
N-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 5104659) is N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is QVQKRRUSMAMTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-2-3-8-18-16(20)12-23-15-7-6-13(11-14(15)17)24(21,22)19-9-4-5-10-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,18,20).
What are the key properties of N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 374.89 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 5104659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).