2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C21H29N3O4S2 — CID 5108161

IUPAC2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H29N3O4S2/c1-28-15-6-14-24(30(26,27)21-7-5-16-29-21)17-20(25)22-18-8-10-19(11-9-18)23-12-3-2-4-13-23/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,22,25)
InChIKeyRGSTYFUVDZTZKW-UHFFFAOYSA-N
MW451.61 g/mol
LogP3.40
Rot. Bonds10

About 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 5108161) has the molecular formula C21H29N3O4S2 and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID5108161
Molecular FormulaC21H29N3O4S2
Molecular Weight451.61 g/mol
Exact Mass451.16
IUPAC Name2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H29N3O4S2/c1-28-15-6-14-24(30(26,27)21-7-5-16-29-21)17-20(25)22-18-8-10-19(11-9-18)23-12-3-2-4-13-23/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,22,25)
InChIKeyRGSTYFUVDZTZKW-UHFFFAOYSA-N
XLogP3.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4869538
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489697
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55478487
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516824
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 5108161) is 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is RGSTYFUVDZTZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S2/c1-28-15-6-14-24(30(26,27)21-7-5-16-29-21)17-20(25)22-18-8-10-19(11-9-18)23-12-3-2-4-13-23/h5,7-11,16H,2-4,6,12-15,17H2,1H3,(H,22,25).
What are the key properties of 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 451.61 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 5108161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).