3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C21H26N2O5S — CID 7589569

IUPAC3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-16(2)15-28-19-7-3-5-17(13-19)21(24)22-18-6-4-8-20(14-18)29(25,26)23-9-11-27-12-10-23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24)
InChIKeyZKKMZZRLVHGCMZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.99
Rot. Bonds7

About 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 7589569) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID7589569
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O5S/c1-16(2)15-28-19-7-3-5-17(13-19)21(24)22-18-6-4-8-20(14-18)29(25,26)23-9-11-27-12-10-23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24)
InChIKeyZKKMZZRLVHGCMZ-UHFFFAOYSA-N
XLogP2.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26249570
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
CID 17134329
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 7589569) is 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is CC(C)COc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is ZKKMZZRLVHGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16(2)15-28-19-7-3-5-17(13-19)21(24)22-18-6-4-8-20(14-18)29(25,26)23-9-11-27-12-10-23/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 7589569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).