3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

C16H21N3O4S — CID 110660579

IUPAC3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-13(9-14(11)24(21,22)19(3)4)16(20)17-8-7-15-18-10-12(2)23-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyJXMFIAYIPLLTDP-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.51
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 110660579) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID110660579
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-13(9-14(11)24(21,22)19(3)4)16(20)17-8-7-15-18-10-12(2)23-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyJXMFIAYIPLLTDP-UHFFFAOYSA-N
XLogP1.51
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
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3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
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3-acetamido-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
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3,5-dimethoxy-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
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3-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)butyl]-4-methylbenzamide
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3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
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3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49355497
4-(dimethylsulfamoyl)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
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3-(dimethylsulfamoyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 110660579) is 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1cnc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)o1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is JXMFIAYIPLLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-5-6-13(9-14(11)24(21,22)19(3)4)16(20)17-8-7-15-18-10-12(2)23-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,20).
What are the key properties of 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110660579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).