N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

C22H25N3O4S — CID 108803241

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1
InChIInChI=1S/C22H25N3O4S/c1-15-7-12-21-19(13-15)20(24-29-21)14-22(26)23-16-8-10-18(11-9-16)30(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,23,26)
InChIKeyUANGKWNMLAWAGE-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.93
Rot. Bonds6

About N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide

N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108803241) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108803241
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1ccc2onc(CC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1
InChIInChI=1S/C22H25N3O4S/c1-15-7-12-21-19(13-15)20(24-29-21)14-22(26)23-16-8-10-18(11-9-16)30(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,23,26)
InChIKeyUANGKWNMLAWAGE-UHFFFAOYSA-N
XLogP3.93
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 108803235
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
2-(5-methyl-1,2-benzoxazol-3-yl)-N-pyridin-2-ylacetamide
CID 22519774
3-[[4-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 108803287
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736264
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide (CID 108803241) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is Cc1ccc2onc(CC(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is UANGKWNMLAWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15-7-12-21-19(13-15)20(24-29-21)14-22(26)23-16-8-10-18(11-9-16)30(27,28)25-17-5-3-2-4-6-17/h7-13,17,25H,2-6,14H2,1H3,(H,23,26).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108803241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).