3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C24H33N3O5S — CID 43017063

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC3CN(CC(C)C)CCO3)c2)cc1
InChIInChI=1S/C24H33N3O5S/c1-18(2)16-27-12-13-32-22(17-27)15-25-24(28)19-6-5-7-23(14-19)33(29,30)26(3)20-8-10-21(31-4)11-9-20/h5-11,14,18,22H,12-13,15-17H2,1-4H3,(H,25,28)
InChIKeyDEKNRFUVVWPPCS-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.61
Rot. Bonds9

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 43017063) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID43017063
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC3CN(CC(C)C)CCO3)c2)cc1
InChIInChI=1S/C24H33N3O5S/c1-18(2)16-27-12-13-32-22(17-27)15-25-24(28)19-6-5-7-23(14-19)33(29,30)26(3)20-8-10-21(31-4)11-9-20/h5-11,14,18,22H,12-13,15-17H2,1-4H3,(H,25,28)
InChIKeyDEKNRFUVVWPPCS-UHFFFAOYSA-N
XLogP2.61
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511285
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 43017063) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC3CN(CC(C)C)CCO3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is DEKNRFUVVWPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-18(2)16-27-12-13-32-22(17-27)15-25-24(28)19-6-5-7-23(14-19)33(29,30)26(3)20-8-10-21(31-4)11-9-20/h5-11,14,18,22H,12-13,15-17H2,1-4H3,(H,25,28).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 475.61 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 43017063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).