N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide

C22H17ClN2O3S — CID 2242150

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-27-19-11-6-14(22-25-17-4-2-3-5-20(17)28-22)12-18(19)24-21(26)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyDGJWHEJALLXRRL-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.89
Rot. Bonds6

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 2242150) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID2242150
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O3S/c1-27-19-11-6-14(22-25-17-4-2-3-5-20(17)28-22)12-18(19)24-21(26)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,26)
InChIKeyDGJWHEJALLXRRL-UHFFFAOYSA-N
XLogP5.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 2242150) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is DGJWHEJALLXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-27-19-11-6-14(22-25-17-4-2-3-5-20(17)28-22)12-18(19)24-21(26)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 424.91 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 2242150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).