2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C25H27N3O4S — CID 42070359

IUPAC2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccccc1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O4S/c29-25(19-26-24-9-5-4-8-21(24)18-20-6-2-1-3-7-20)27-22-10-12-23(13-11-22)33(30,31)28-14-16-32-17-15-28/h1-13,26H,14-19H2,(H,27,29)
InChIKeyOZDSPKOJYAOZRM-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.35
Rot. Bonds8

About 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 42070359) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID42070359
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1ccccc1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O4S/c29-25(19-26-24-9-5-4-8-21(24)18-20-6-2-1-3-7-20)27-22-10-12-23(13-11-22)33(30,31)28-14-16-32-17-15-28/h1-13,26H,14-19H2,(H,27,29)
InChIKeyOZDSPKOJYAOZRM-UHFFFAOYSA-N
XLogP3.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
2-[3-(benzenesulfonyl)-2-methylanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 22307501
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-(4-phenylbutan-2-yl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4655484
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 42070359) is 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CNc1ccccc1Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is OZDSPKOJYAOZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c29-25(19-26-24-9-5-4-8-21(24)18-20-6-2-1-3-7-20)27-22-10-12-23(13-11-22)33(30,31)28-14-16-32-17-15-28/h1-13,26H,14-19H2,(H,27,29).
What are the key properties of 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 465.58 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42070359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).