(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C13H18BrNO5S2 — CID 97209318

IUPAC(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrNO5S2/c1-9(20-8-10-4-2-3-7-19-10)13(16)15-22(17,18)12-6-5-11(14)21-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyDVDIFAZTMVADHG-NXEZZACHSA-N
MW412.33 g/mol
LogP2.29
Rot. Bonds6

About (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 97209318) has the molecular formula C13H18BrNO5S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID97209318
Molecular FormulaC13H18BrNO5S2
Molecular Weight412.33 g/mol
Exact Mass410.98
IUPAC Name(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H18BrNO5S2/c1-9(20-8-10-4-2-3-7-19-10)13(16)15-22(17,18)12-6-5-11(14)21-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyDVDIFAZTMVADHG-NXEZZACHSA-N
XLogP2.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 97209318) is (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is DVDIFAZTMVADHG-NXEZZACHSA-N. The full InChI is InChI=1S/C13H18BrNO5S2/c1-9(20-8-10-4-2-3-7-19-10)13(16)15-22(17,18)12-6-5-11(14)21-12/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 412.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 97209318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).