2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide

C17H24N2O3S — CID 39156035

IUPAC2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H24N2O3S/c1-21-15-5-3-2-4-14(15)16(20)18-12-17(6-11-23-13-17)19-7-9-22-10-8-19/h2-5H,6-13H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyVQKKVXUQZYMYMB-KRWDZBQOSA-N
MW336.46 g/mol
LogP1.63
Rot. Bonds5

About 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide

2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide (PubChem CID 39156035) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
PubChem CID39156035
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C17H24N2O3S/c1-21-15-5-3-2-4-14(15)16(20)18-12-17(6-11-23-13-17)19-7-9-22-10-8-19/h2-5H,6-13H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyVQKKVXUQZYMYMB-KRWDZBQOSA-N
XLogP1.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-fluoro-N-[(4-morpholin-4-ylthian-4-yl)methyl]benzamide
CID 139028683
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-(2-methoxyphenyl)-N'-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]piperazine-1-carboximidamide
CID 111132861
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 55658501
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide (CID 39156035) is 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide is COc1ccccc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1.
What is the InChIKey of 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
The InChIKey is VQKKVXUQZYMYMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-21-15-5-3-2-4-14(15)16(20)18-12-17(6-11-23-13-17)19-7-9-22-10-8-19/h2-5H,6-13H2,1H3,(H,18,20)/t17-/m0/s1.
What are the key properties of 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide?
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide has a molecular weight of 336.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide is sourced from PubChem (CID 39156035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).