2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C18H30N4O4S — CID 5024016

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNCCN(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H30N4O4S/c1-21(2)12-9-19-14-18(23)20-15-7-8-16(26-3)17(13-15)27(24,25)22-10-5-4-6-11-22/h7-8,13,19H,4-6,9-12,14H2,1-3H3,(H,20,23)
InChIKeyLEJVPCSQXNLFPQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP0.96
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 5024016) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID5024016
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNCCN(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H30N4O4S/c1-21(2)12-9-19-14-18(23)20-15-7-8-16(26-3)17(13-15)27(24,25)22-10-5-4-6-11-22/h7-8,13,19H,4-6,9-12,14H2,1-3H3,(H,20,23)
InChIKeyLEJVPCSQXNLFPQ-UHFFFAOYSA-N
XLogP0.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4227752
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 18776911
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 5024016) is 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CNCCN(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is LEJVPCSQXNLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-21(2)12-9-19-14-18(23)20-15-7-8-16(26-3)17(13-15)27(24,25)22-10-5-4-6-11-22/h7-8,13,19H,4-6,9-12,14H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5024016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).