1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide

C19H23N3O5S2 — CID 2373159

IUPAC1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N3O5S2/c1-21(29(25,26)18-3-2-12-28-18)15-4-6-16(7-5-15)27-13-17(23)22-10-8-14(9-11-22)19(20)24/h2-7,12,14H,8-11,13H2,1H3,(H2,20,24)
InChIKeyIWZKANRXCNVTRF-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.68
Rot. Bonds7

About 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide

1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide (PubChem CID 2373159) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
PubChem CID2373159
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N3O5S2/c1-21(29(25,26)18-3-2-12-28-18)15-4-6-16(7-5-15)27-13-17(23)22-10-8-14(9-11-22)19(20)24/h2-7,12,14H,8-11,13H2,1H3,(H2,20,24)
InChIKeyIWZKANRXCNVTRF-UHFFFAOYSA-N
XLogP1.68
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide (CID 2373159) is 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide is CN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The InChIKey is IWZKANRXCNVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-21(29(25,26)18-3-2-12-28-18)15-4-6-16(7-5-15)27-13-17(23)22-10-8-14(9-11-22)19(20)24/h2-7,12,14H,8-11,13H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 2373159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).