N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C20H29NO3S — CID 110673907

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCN(C(=O)CCCc1ccc2c(c1)CCCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H29NO3S/c1-2-21(19-12-13-25(23,24)15-19)20(22)9-5-6-16-10-11-17-7-3-4-8-18(17)14-16/h10-11,14,19H,2-9,12-13,15H2,1H3
InChIKeyZRDXNJXIJXQCRO-UHFFFAOYSA-N
MW363.52 g/mol
LogP2.92
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 110673907) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID110673907
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCCN(C(=O)CCCc1ccc2c(c1)CCCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H29NO3S/c1-2-21(19-12-13-25(23,24)15-19)20(22)9-5-6-16-10-11-17-7-3-4-8-18(17)14-16/h10-11,14,19H,2-9,12-13,15H2,1H3
InChIKeyZRDXNJXIJXQCRO-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110767302
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(1H-pyrazol-4-yl)butanamide
CID 70710324
N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide
CID 55776242
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732676
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390427
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-ethylphenyl)-4-oxobutanamide
CID 134028550
N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60560710
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597370
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-(1H-indol-3-yl)butanamide
CID 8890878
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 55423994

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 110673907) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CCN(C(=O)CCCc1ccc2c(c1)CCCC2)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is ZRDXNJXIJXQCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-2-21(19-12-13-25(23,24)15-19)20(22)9-5-6-16-10-11-17-7-3-4-8-18(17)14-16/h10-11,14,19H,2-9,12-13,15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 363.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 110673907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).