2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C17H27N3O5S — CID 30148719

IUPAC2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H27N3O5S/c1-19(26(3,22)23)14-5-6-16(24-2)15(13-14)17(21)18-7-4-8-20-9-11-25-12-10-20/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyKUFILSMFMJYXIV-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.54
Rot. Bonds8

About 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 30148719) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID30148719
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H27N3O5S/c1-19(26(3,22)23)14-5-6-16(24-2)15(13-14)17(21)18-7-4-8-20-9-11-25-12-10-20/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeyKUFILSMFMJYXIV-UHFFFAOYSA-N
XLogP0.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 30148719) is 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is KUFILSMFMJYXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-19(26(3,22)23)14-5-6-16(24-2)15(13-14)17(21)18-7-4-8-20-9-11-25-12-10-20/h5-6,13H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 30148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).