N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide

C21H18ClN3O4S — CID 145203264

IUPACN-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide
SMILESNS(=O)C(C=O)c1cc(NC(=O)Cc2cccnc2)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O4S/c22-15-4-1-5-17(10-15)29-19-7-6-16(11-18(19)20(13-26)30(23)28)25-21(27)9-14-3-2-8-24-12-14/h1-8,10-13,20H,9,23H2,(H,25,27)
InChIKeyZQHULEKEWGXSAK-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.57
Rot. Bonds8

About N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide

N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 145203264) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide
PubChem CID145203264
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC NameN-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide
SMILESNS(=O)C(C=O)c1cc(NC(=O)Cc2cccnc2)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C21H18ClN3O4S/c22-15-4-1-5-17(10-15)29-19-7-6-16(11-18(19)20(13-26)30(23)28)25-21(27)9-14-3-2-8-24-12-14/h1-8,10-13,20H,9,23H2,(H,25,27)
InChIKeyZQHULEKEWGXSAK-UHFFFAOYSA-N
XLogP3.57
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
CID 162660886
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
CID 20910578
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
CID 71978991
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(2,4-dichloro-1,2-dihydropyridin-5-yl)acetamide
CID 145203246
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N,N-dimethylbenzamide;3-[2-[4-(3-chlorophenoxy)-3-sulfamoylanilino]-2-oxoethyl]-N-methylbenzamide
CID 158249317
N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide
CID 67659278
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide (CID 145203264) is N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide is NS(=O)C(C=O)c1cc(NC(=O)Cc2cccnc2)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is ZQHULEKEWGXSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c22-15-4-1-5-17(10-15)29-19-7-6-16(11-18(19)20(13-26)30(23)28)25-21(27)9-14-3-2-8-24-12-14/h1-8,10-13,20H,9,23H2,(H,25,27).
What are the key properties of N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide?
N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 443.91 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenoxy)-3-(2-oxo-1-sulfinamoylethyl)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 145203264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).