N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C26H28N2O5S — CID 24979784

IUPACN-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O5S/c1-20-8-11-23(12-9-20)28(19-21-6-4-3-5-7-21)26(29)22-10-13-24(32-2)25(18-22)34(30,31)27-14-16-33-17-15-27/h3-13,18H,14-17,19H2,1-2H3
InChIKeyZIWDBJZJHAWJMX-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.87
Rot. Bonds7

About N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 24979784) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID24979784
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H28N2O5S/c1-20-8-11-23(12-9-20)28(19-21-6-4-3-5-7-21)26(29)22-10-13-24(32-2)25(18-22)34(30,31)27-14-16-33-17-15-27/h3-13,18H,14-17,19H2,1-2H3
InChIKeyZIWDBJZJHAWJMX-UHFFFAOYSA-N
XLogP3.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
CID 30797429
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608437
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 24979784) is N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZIWDBJZJHAWJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-20-8-11-23(12-9-20)28(19-21-6-4-3-5-7-21)26(29)22-10-13-24(32-2)25(18-22)34(30,31)27-14-16-33-17-15-27/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 480.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24979784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).