4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

C16H21N3O5S — CID 9187293

IUPAC4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C16H21N3O5S/c1-10(2)9-13(15-18-19-16(24-15)25(4,21)22)17-14(20)11-5-7-12(23-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyMQVYXQLUTSBNGP-ZDUSSCGKSA-N
MW367.43 g/mol
LogP2.00
Rot. Bonds7

About 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide

4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (PubChem CID 9187293) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
PubChem CID9187293
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C16H21N3O5S/c1-10(2)9-13(15-18-19-16(24-15)25(4,21)22)17-14(20)11-5-7-12(23-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyMQVYXQLUTSBNGP-ZDUSSCGKSA-N
XLogP2.00
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187332
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
CID 9049434
3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110288314
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92673224
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-3,5-dimethoxybenzamide
CID 9049529
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide (CID 9187293) is 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is COc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
The InChIKey is MQVYXQLUTSBNGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-10(2)9-13(15-18-19-16(24-15)25(4,21)22)17-14(20)11-5-7-12(23-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide?
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide is sourced from PubChem (CID 9187293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).