2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

C17H23N3O4S — CID 9185904

IUPAC2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)C(C)C)o1
InChIInChI=1S/C17H23N3O4S/c1-11(2)15(21)18-14(10-13-8-6-5-7-9-13)16-19-20-17(24-16)25(22,23)12(3)4/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyJRDSLDBXMQUVHY-AWEZNQCLSA-N
MW365.46 g/mol
LogP2.31
Rot. Bonds7

About 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (PubChem CID 9185904) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
PubChem CID9185904
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)C(C)C)o1
InChIInChI=1S/C17H23N3O4S/c1-11(2)15(21)18-14(10-13-8-6-5-7-9-13)16-19-20-17(24-16)25(22,23)12(3)4/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyJRDSLDBXMQUVHY-AWEZNQCLSA-N
XLogP2.31
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 9185918
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2-methylpropanamide
CID 53159528
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 9185553
3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
CID 9185776
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
tert-butyl N-[1-[5-[(3,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
CID 3750209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (CID 9185904) is 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is CC(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)C(C)C)o1.
What is the InChIKey of 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The InChIKey is JRDSLDBXMQUVHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11(2)15(21)18-14(10-13-8-6-5-7-9-13)16-19-20-17(24-16)25(22,23)12(3)4/h5-9,11-12,14H,10H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide has a molecular weight of 365.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 9185904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).