N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H23N3O6S — CID 5307802

IUPACN-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H23N3O6S/c1-2-15-3-5-16(6-4-15)22-20(25)14-24-18-8-7-17(13-19(18)30-21(24)26)31(27,28)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyLIFDRSXVCXHENI-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.82
Rot. Bonds6

About N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 5307802) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID5307802
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC NameN-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H23N3O6S/c1-2-15-3-5-16(6-4-15)22-20(25)14-24-18-8-7-17(13-19(18)30-21(24)26)31(27,28)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyLIFDRSXVCXHENI-UHFFFAOYSA-N
XLogP1.82
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)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-(4-methoxyphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19260112
2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20876158
N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
N-(3-ethylphenyl)-2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 20868490
N-(4-methoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260097
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20879528
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 24509479
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-fluorophenyl)acetamide
CID 23603552
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
N-[4-[2-[4-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53121281

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 5307802) is N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is CCc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LIFDRSXVCXHENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-2-15-3-5-16(6-4-15)22-20(25)14-24-18-8-7-17(13-19(18)30-21(24)26)31(27,28)23-9-11-29-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 445.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 5307802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).