2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C18H27ClN2O5S — CID 126394799

IUPAC2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C18H27ClN2O5S/c1-14(2)25-11-5-8-20-18(22)13-26-17-7-6-15(12-16(17)19)27(23,24)21-9-3-4-10-21/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,20,22)
InChIKeyKGWRGWAEVDCMEP-UHFFFAOYSA-N
MW418.94 g/mol
LogP2.43
Rot. Bonds10

About 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126394799) has the molecular formula C18H27ClN2O5S and a molecular weight of 418.94 g/mol. Its IUPAC name is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126394799
Molecular FormulaC18H27ClN2O5S
Molecular Weight418.94 g/mol
Exact Mass418.13
IUPAC Name2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C18H27ClN2O5S/c1-14(2)25-11-5-8-20-18(22)13-26-17-7-6-15(12-16(17)19)27(23,24)21-9-3-4-10-21/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,20,22)
InChIKeyKGWRGWAEVDCMEP-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
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-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
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
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
4-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)butanoic acid
CID 146132875

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 126394799) is 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is KGWRGWAEVDCMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O5S/c1-14(2)25-11-5-8-20-18(22)13-26-17-7-6-15(12-16(17)19)27(23,24)21-9-3-4-10-21/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 418.94 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126394799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).