2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

C16H25ClN3O4S+ — CID 7477670

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O4S/c1-25(22,23)20(15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-19-9-11-24-12-10-19/h3-6H,2,7-13H2,1H3,(H,18,21)/p+1
InChIKeyKICKJWRHNVWRKG-UHFFFAOYSA-O
MW390.91 g/mol
LogP-0.47
Rot. Bonds8

About 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (PubChem CID 7477670) has the molecular formula C16H25ClN3O4S+ and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
PubChem CID7477670
Molecular FormulaC16H25ClN3O4S+
Molecular Weight390.91 g/mol
Exact Mass390.12
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClN3O4S/c1-25(22,23)20(15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-19-9-11-24-12-10-19/h3-6H,2,7-13H2,1H3,(H,18,21)/p+1
InChIKeyKICKJWRHNVWRKG-UHFFFAOYSA-O
XLogP-0.47
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7339596
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7477668
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30219768
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219781
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897342
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219983
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (CID 7477670) is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The InChIKey is KICKJWRHNVWRKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O4S/c1-25(22,23)20(15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-19-9-11-24-12-10-19/h3-6H,2,7-13H2,1H3,(H,18,21)/p+1.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide has a molecular weight of 390.91 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is sourced from PubChem (CID 7477670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).