N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H25N3O4S — CID 9360666

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14-18(15(2)26-21-14)13-19(23)20-16-7-9-17(10-8-16)27(24,25)22-11-5-3-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyVYZKQCWRBORTOW-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.04
Rot. Bonds5

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 9360666) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID9360666
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14-18(15(2)26-21-14)13-19(23)20-16-7-9-17(10-8-16)27(24,25)22-11-5-3-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyVYZKQCWRBORTOW-UHFFFAOYSA-N
XLogP3.04
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 41080778
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31766906
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
2-(1,2-benzoxazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9068927
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30729564
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 9360666) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is VYZKQCWRBORTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-18(15(2)26-21-14)13-19(23)20-16-7-9-17(10-8-16)27(24,25)22-11-5-3-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 9360666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).