N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide

C23H28N2O6S — CID 30797106

IUPACN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C23H28N2O6S/c26-23(20-8-2-3-9-21(20)31-17-19-7-5-13-30-19)24-16-18-6-1-4-10-22(18)32(27,28)25-11-14-29-15-12-25/h1-4,6,8-10,19H,5,7,11-17H2,(H,24,26)/t19-/m1/s1
InChIKeySEERABOKSMSLMX-LJQANCHMSA-N
MW460.55 g/mol
LogP2.20
Rot. Bonds8

About N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 30797106) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID30797106
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C23H28N2O6S/c26-23(20-8-2-3-9-21(20)31-17-19-7-5-13-30-19)24-16-18-6-1-4-10-22(18)32(27,28)25-11-14-29-15-12-25/h1-4,6,8-10,19H,5,7,11-17H2,(H,24,26)/t19-/m1/s1
InChIKeySEERABOKSMSLMX-LJQANCHMSA-N
XLogP2.20
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 43042819
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 154747662

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 30797106) is N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1OC[C@H]1CCCO1.
What is the InChIKey of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is SEERABOKSMSLMX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O6S/c26-23(20-8-2-3-9-21(20)31-17-19-7-5-13-30-19)24-16-18-6-1-4-10-22(18)32(27,28)25-11-14-29-15-12-25/h1-4,6,8-10,19H,5,7,11-17H2,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 460.55 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 30797106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).