3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide

C24H30N2O4S — CID 55658528

IUPAC3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N3CCOCC3)CCSC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H30N2O4S/c1-28-22-15-20(7-8-21(22)30-16-19-5-3-2-4-6-19)23(27)25-17-24(9-14-31-18-24)26-10-12-29-13-11-26/h2-8,15H,9-14,16-18H2,1H3,(H,25,27)
InChIKeyNHKCXURQMSBIJK-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.21
Rot. Bonds8

About 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide

3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide (PubChem CID 55658528) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
PubChem CID55658528
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N3CCOCC3)CCSC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H30N2O4S/c1-28-22-15-20(7-8-21(22)30-16-19-5-3-2-4-6-19)23(27)25-17-24(9-14-31-18-24)26-10-12-29-13-11-26/h2-8,15H,9-14,16-18H2,1H3,(H,25,27)
InChIKeyNHKCXURQMSBIJK-UHFFFAOYSA-N
XLogP3.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 71616252
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
benzyl N-[4-[(3-morpholin-4-ylthiolan-3-yl)methylamino]-4-oxobutyl]carbamate
CID 55842494
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86946723
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
4-butoxy-3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]benzamide;3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethoxy-N-[[4-(2-phenylethyl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 161306520

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide (CID 55658528) is 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC2(N3CCOCC3)CCSC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide?
The InChIKey is NHKCXURQMSBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-28-22-15-20(7-8-21(22)30-16-19-5-3-2-4-6-19)23(27)25-17-24(9-14-31-18-24)26-10-12-29-13-11-26/h2-8,15H,9-14,16-18H2,1H3,(H,25,27).
What are the key properties of 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide?
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide has a molecular weight of 442.58 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 55658528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).