2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H21N3O5S — CID 9183622

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O5S/c1-14-6-7-15(12-19(14)29(25,26)23-8-10-27-11-9-23)21-20(24)13-17-16-4-2-3-5-18(16)28-22-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyFFVGGQRCOWRURN-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.34
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 9183622) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID9183622
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O5S/c1-14-6-7-15(12-19(14)29(25,26)23-8-10-27-11-9-23)21-20(24)13-17-16-4-2-3-5-18(16)28-22-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyFFVGGQRCOWRURN-UHFFFAOYSA-N
XLogP2.34
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)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

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
2-(1,2-benzoxazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9068927
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 9183622) is 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is FFVGGQRCOWRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-14-6-7-15(12-19(14)29(25,26)23-8-10-27-11-9-23)21-20(24)13-17-16-4-2-3-5-18(16)28-22-17/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9183622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).