N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide

C16H21N3O4S — CID 125422395

IUPACN-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nnc(COc2ccccc2S(=O)(=O)NCC2CC2)o1
InChIInChI=1S/C16H21N3O4S/c1-11(2)16-19-18-15(23-16)10-22-13-5-3-4-6-14(13)24(20,21)17-9-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyDOSIUMKIVAKCOK-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.46
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide

N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 125422395) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
PubChem CID125422395
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
SMILESCC(C)c1nnc(COc2ccccc2S(=O)(=O)NCC2CC2)o1
InChIInChI=1S/C16H21N3O4S/c1-11(2)16-19-18-15(23-16)10-22-13-5-3-4-6-14(13)24(20,21)17-9-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyDOSIUMKIVAKCOK-UHFFFAOYSA-N
XLogP2.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide with MolForge

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Related Compounds

5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914987
3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107914999
3,5-Difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915015
5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 114015414
[1-(4-{[5-(Propan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy}benzenesulfonyl)azetidin-3-yl]methanol
CID 122155534
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 70495054
2-Cyclopropyl-5-[(3-methylsulfonylphenoxy)methyl]-1,3,4-oxadiazole
CID 47394408
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 47821487
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928356
2-[(4-Piperidin-1-ylsulfonylphenoxy)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 60282580
2-Cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 75432623
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 103760308

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide (CID 125422395) is N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is CC(C)c1nnc(COc2ccccc2S(=O)(=O)NCC2CC2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is DOSIUMKIVAKCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11(2)16-19-18-15(23-16)10-22-13-5-3-4-6-14(13)24(20,21)17-9-12-7-8-12/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide?
N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 125422395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).