N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C20H27N3O4S — CID 55853359

IUPACN-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n1
InChIInChI=1S/C20H27N3O4S/c1-2-7-18-22-20(27-23-18)13-6-12-19(24)21-15-8-5-11-17(14-15)28(25,26)16-9-3-4-10-16/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3,(H,21,24)
InChIKeyUWQRLDDOUAYTRP-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.70
Rot. Bonds9

About N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55853359) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55853359
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n1
InChIInChI=1S/C20H27N3O4S/c1-2-7-18-22-20(27-23-18)13-6-12-19(24)21-15-8-5-11-17(14-15)28(25,26)16-9-3-4-10-16/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3,(H,21,24)
InChIKeyUWQRLDDOUAYTRP-UHFFFAOYSA-N
XLogP3.70
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-(4-phenoxyphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55834700
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55821878
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55854386
N-[3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]pyridine-4-carboxamide
CID 39678269
N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55954642
3-[(2-chlorophenyl)sulfonylamino]-N-(3-cyclopentylsulfonylphenyl)propanamide
CID 55636261
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
CID 86971398

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55853359) is N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is UWQRLDDOUAYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-2-7-18-22-20(27-23-18)13-6-12-19(24)21-15-8-5-11-17(14-15)28(25,26)16-9-3-4-10-16/h5,8,11,14,16H,2-4,6-7,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 405.52 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).