N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C23H29N3O6S — CID 55781546

IUPACN-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H29N3O6S/c1-3-4-22(27)25-19-8-5-17(6-9-19)16-24-23(28)18-7-10-20(31-2)21(15-18)33(29,30)26-11-13-32-14-12-26/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDJNMRUDXRRJNRJ-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.38
Rot. Bonds9

About N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55781546) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55781546
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H29N3O6S/c1-3-4-22(27)25-19-8-5-17(6-9-19)16-24-23(28)18-7-10-20(31-2)21(15-18)33(29,30)26-11-13-32-14-12-26/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyDJNMRUDXRRJNRJ-UHFFFAOYSA-N
XLogP2.38
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide 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-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838866

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55781546) is N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DJNMRUDXRRJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-3-4-22(27)25-19-8-5-17(6-9-19)16-24-23(28)18-7-10-20(31-2)21(15-18)33(29,30)26-11-13-32-14-12-26/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 475.57 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55781546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).