N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide

C21H25ClN2O4S — CID 55627434

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H25ClN2O4S/c1-2-12-24(17-11-13-29(26,27)15-17)14-21(25)23-16-7-9-18(10-8-16)28-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15H2,1H3,(H,23,25)
InChIKeyNIWWGWQERIUBRY-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.97
Rot. Bonds8

About N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide

N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide (PubChem CID 55627434) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide
PubChem CID55627434
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C21H25ClN2O4S/c1-2-12-24(17-11-13-29(26,27)15-17)14-21(25)23-16-7-9-18(10-8-16)28-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15H2,1H3,(H,23,25)
InChIKeyNIWWGWQERIUBRY-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]acetamide
CID 8842892
2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide
CID 164663520
(3S)-N-[3-(2-chlorophenyl)prop-2-ynyl]-1,1-dioxo-N-propylthiolan-3-amine
CID 97238815
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 25479249
N-[4-(diethylsulfamoyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]acetamide
CID 56541246
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]amino]benzoate
CID 109001862
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 113121684
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide (CID 55627434) is N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide?
The InChIKey is NIWWGWQERIUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-12-24(17-11-13-29(26,27)15-17)14-21(25)23-16-7-9-18(10-8-16)28-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide?
N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide has a molecular weight of 436.96 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide is sourced from PubChem (CID 55627434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).