N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide

C21H25N3O5S — CID 45028132

IUPACN-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1
InChIInChI=1S/C21H25N3O5S/c25-20(22-16-17-4-2-1-3-5-17)10-11-21(26)23-18-6-8-19(9-7-18)30(27,28)24-12-14-29-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26)
InChIKeyFXCIJFWWOHFVOJ-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.74
Rot. Bonds8

About N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide

N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide (PubChem CID 45028132) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
PubChem CID45028132
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1
InChIInChI=1S/C21H25N3O5S/c25-20(22-16-17-4-2-1-3-5-17)10-11-21(26)23-18-6-8-19(9-7-18)30(27,28)24-12-14-29-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26)
InChIKeyFXCIJFWWOHFVOJ-UHFFFAOYSA-N
XLogP1.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide?
The IUPAC name of N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide (CID 45028132) is N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide.
What is the SMILES notation for N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide?
The canonical SMILES for N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide is O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide?
The InChIKey is FXCIJFWWOHFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-20(22-16-17-4-2-1-3-5-17)10-11-21(26)23-18-6-8-19(9-7-18)30(27,28)24-12-14-29-15-13-24/h1-9H,10-16H2,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide?
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide has a molecular weight of 431.51 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide is sourced from PubChem (CID 45028132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).