N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C20H23N3O5S — CID 55670048

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23N3O5S/c1-14-6-7-16(12-18(14)29(26,27)23-8-10-28-11-9-23)20(25)22-17-5-3-2-4-15(17)13-19(21)24/h2-7,12H,8-11,13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyQEQQTYHRAJXKCK-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55670048) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55670048
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23N3O5S/c1-14-6-7-16(12-18(14)29(26,27)23-8-10-28-11-9-23)20(25)22-17-5-3-2-4-15(17)13-19(21)24/h2-7,12H,8-11,13H2,1H3,(H2,21,24)(H,22,25)
InChIKeyQEQQTYHRAJXKCK-UHFFFAOYSA-N
XLogP1.30
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55642516
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(2-carbamoylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 50946665
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 55670048) is N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QEQQTYHRAJXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-6-7-16(12-18(14)29(26,27)23-8-10-28-11-9-23)20(25)22-17-5-3-2-4-15(17)13-19(21)24/h2-7,12H,8-11,13H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55670048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).