2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C16H24ClN3O4S — CID 50945225

IUPAC2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(c1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H24ClN3O4S/c1-19(25(2,22)23)13-4-5-14(15(17)12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyJFJOAVQKGDYCTG-UHFFFAOYSA-N
MW389.91 g/mol
LogP1.19
Rot. Bonds7

About 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 50945225) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID50945225
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCN(c1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H24ClN3O4S/c1-19(25(2,22)23)13-4-5-14(15(17)12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyJFJOAVQKGDYCTG-UHFFFAOYSA-N
XLogP1.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 53278155
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide
CID 132670674
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 50945225) is 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is CN(c1ccc(C(=O)NCCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is JFJOAVQKGDYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S/c1-19(25(2,22)23)13-4-5-14(15(17)12-13)16(21)18-6-3-7-20-8-10-24-11-9-20/h4-5,12H,3,6-11H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 389.91 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 50945225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).