2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C19H31N3O4S — CID 113149557

IUPAC2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16-9-12-21(13-10-16)18-7-5-17(6-8-18)20-19(23)15-22(27(3,24)25)11-4-14-26-2/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyCFLUUQITMZAFRA-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.16
Rot. Bonds9

About 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 113149557) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID113149557
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16-9-12-21(13-10-16)18-7-5-17(6-8-18)20-19(23)15-22(27(3,24)25)11-4-14-26-2/h5-8,16H,4,9-15H2,1-3H3,(H,20,23)
InChIKeyCFLUUQITMZAFRA-UHFFFAOYSA-N
XLogP2.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5108161
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113149314
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4869538

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 113149557) is 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is COCCCN(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is CFLUUQITMZAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-16-9-12-21(13-10-16)18-7-5-17(6-8-18)20-19(23)15-22(27(3,24)25)11-4-14-26-2/h5-8,16H,4,9-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 397.54 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113149557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).