(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide

C17H25NO4S — CID 95175385

IUPAC(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H25NO4S/c1-4-18(17(19)15-9-10-23(20,21)12-15)13(2)11-14-5-7-16(22-3)8-6-14/h5-8,13,15H,4,9-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyNBFSBAATDBPFNN-HIFRSBDPSA-N
MW339.46 g/mol
LogP1.91
Rot. Bonds6

About (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 95175385) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID95175385
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H25NO4S/c1-4-18(17(19)15-9-10-23(20,21)12-15)13(2)11-14-5-7-16(22-3)8-6-14/h5-8,13,15H,4,9-12H2,1-3H3/t13-,15+/m1/s1
InChIKeyNBFSBAATDBPFNN-HIFRSBDPSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620551
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
(3S)-N-[(1R)-1-cyclopropyl-2-(4-methylphenyl)ethyl]-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 95777503
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 40607572
3-[1-bromo-2-(4-methoxyphenyl)ethyl]thiolane 1,1-dioxide
CID 64904387
2-[[(3S)-1,1-dioxothiolan-3-yl]-[(4-methoxyphenyl)methyl]amino]-N,N-di(propan-2-yl)acetamide
CID 35031781
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077328
1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
CID 113323142
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971689
methyl (2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]propanoate
CID 39884610

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide (CID 95175385) is (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide is CCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is NBFSBAATDBPFNN-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-4-18(17(19)15-9-10-23(20,21)12-15)13(2)11-14-5-7-16(22-3)8-6-14/h5-8,13,15H,4,9-12H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 95175385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).