(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide

C19H23NO4S — CID 97123561

IUPAC(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C19H23NO4S/c1-14(19(21)20(2)17-9-11-25(22,23)12-10-17)24-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13-14,17H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyDNPIYPSXYCLTPL-AWEZNQCLSA-N
MW361.46 g/mol
LogP2.64
Rot. Bonds4

About (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide

(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide (PubChem CID 97123561) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide
PubChem CID97123561
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C19H23NO4S/c1-14(19(21)20(2)17-9-11-25(22,23)12-10-17)24-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13-14,17H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyDNPIYPSXYCLTPL-AWEZNQCLSA-N
XLogP2.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
2-(4-benzoylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 24595012
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967
[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 9060685
methyl 3-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl]oxy-4-methylbenzoate
CID 51932805
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 26008872
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide (CID 97123561) is (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide is C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCS(=O)(=O)CC1.
What is the InChIKey of (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide?
The InChIKey is DNPIYPSXYCLTPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(19(21)20(2)17-9-11-25(22,23)12-10-17)24-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13-14,17H,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide?
(2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide has a molecular weight of 361.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,1-dioxothian-4-yl)-N-methyl-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 97123561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).