2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide

C19H27N3O5S — CID 11912470

IUPAC2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)NCc1ccco1
InChIInChI=1S/C19H27N3O5S/c1-4-15-12-22(28(24,25)19-13(2)21-27-14(19)3)8-7-16(15)10-18(23)20-11-17-6-5-9-26-17/h5-6,9,15-16H,4,7-8,10-12H2,1-3H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyYFXNACJSAKOBRI-HOTGVXAUSA-N
MW409.51 g/mol
LogP2.63
Rot. Bonds7

About 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 11912470) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID11912470
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)NCc1ccco1
InChIInChI=1S/C19H27N3O5S/c1-4-15-12-22(28(24,25)19-13(2)21-27-14(19)3)8-7-16(15)10-18(23)20-11-17-6-5-9-26-17/h5-6,9,15-16H,4,7-8,10-12H2,1-3H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyYFXNACJSAKOBRI-HOTGVXAUSA-N
XLogP2.63
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,5-dimethylanilino]-N-(furan-2-ylmethyl)acetamide
CID 5307916
N-(2-furylmethyl)-1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide
CID 5771493
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 9550445
1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)-N-(4-methylbenzyl)piperidine-4-carboxamide
CID 9551363
1-({5-[(E)-2-(2-furyl)-1-ethenyl]-3-methyl-4-isoxazolyl}sulfonyl)-N~4~-(4-methoxyphenyl)-4-piperidinecarboxamide
CID 16007685
N-(4-Ethoxyphenyl)-1-({5-[(1E)-2-(furan-2-YL)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16007693
N-(2-Ethoxyphenyl)-1-({5-[(1E)-2-(furan-2-YL)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16007718
1-({5-[(1E)-2-(2-Fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N-[(5-methylfuran-2-YL)methyl]piperidine-4-carboxamide
CID 16029349
N-(2-furylmethyl)-1-({5-[(Z)-2-(4-methoxyphenyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide
CID 16194384
1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 16007695
1-({1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-(2-furoyl)piperazine
CID 3238897
1-({3-Methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-YL}sulfonyl)-N-[(5-methylfuran-2-YL)methyl]piperidine-4-carboxamide
CID 16029242

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 11912470) is 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide is CC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CC[C@H]1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YFXNACJSAKOBRI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-4-15-12-22(28(24,25)19-13(2)21-27-14(19)3)8-7-16(15)10-18(23)20-11-17-6-5-9-26-17/h5-6,9,15-16H,4,7-8,10-12H2,1-3H3,(H,20,23)/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 11912470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).