N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H21N3O3S — CID 110368571

IUPACN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)c1nnc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)o1
InChIInChI=1S/C16H21N3O3S/c1-11(2)16-19-18-15(22-16)8-9-17-23(20,21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyAKXCJBHIXXWYOQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110368571) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110368571
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)c1nnc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)o1
InChIInChI=1S/C16H21N3O3S/c1-11(2)16-19-18-15(22-16)8-9-17-23(20,21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyAKXCJBHIXXWYOQ-UHFFFAOYSA-N
XLogP2.20
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 9188640
3,4-dimethyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368347
2-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368567
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
2-chloro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110368569
N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110722088
5-methyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110368533
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110319606
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110641628

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110368571) is N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is CC(C)c1nnc(CCNS(=O)(=O)c2ccc3c(c2)CCC3)o1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is AKXCJBHIXXWYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(2)16-19-18-15(22-16)8-9-17-23(20,21)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110368571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).