N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide

C20H24N2O5S — CID 7759035

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(2)27-18-8-6-16(7-9-18)20(23)21-17-4-3-5-19(14-17)28(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyMAFKSMIVLKIKTL-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.75
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide

N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 7759035) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
PubChem CID7759035
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(2)27-18-8-6-16(7-9-18)20(23)21-17-4-3-5-19(14-17)28(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyMAFKSMIVLKIKTL-UHFFFAOYSA-N
XLogP2.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide (CID 7759035) is N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is MAFKSMIVLKIKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15(2)27-18-8-6-16(7-9-18)20(23)21-17-4-3-5-19(14-17)28(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide?
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 404.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7759035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).