N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C16H25N3O5S — CID 119496106

IUPACN-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(C)N
InChIInChI=1S/C16H25N3O5S/c1-12(17)5-6-18-16(20)14-11-13(3-4-15(14)23-2)25(21,22)19-7-9-24-10-8-19/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyNTAFTNIJKPJUDR-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.18
Rot. Bonds7

About N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 119496106) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID119496106
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(C)N
InChIInChI=1S/C16H25N3O5S/c1-12(17)5-6-18-16(20)14-11-13(3-4-15(14)23-2)25(21,22)19-7-9-24-10-8-19/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20)
InChIKeyNTAFTNIJKPJUDR-UHFFFAOYSA-N
XLogP0.18
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-aminobutyl)-2-methoxy-5-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-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591075
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119358783

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 119496106) is N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NTAFTNIJKPJUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-12(17)5-6-18-16(20)14-11-13(3-4-15(14)23-2)25(21,22)19-7-9-24-10-8-19/h3-4,11-12H,5-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119496106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).