1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide

C20H23N3O4S — CID 2123750

IUPAC1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-22(20(26)17-3-2-12-28-17)15-4-6-16(7-5-15)27-13-18(24)23-10-8-14(9-11-23)19(21)25/h2-7,12,14H,8-11,13H2,1H3,(H2,21,25)
InChIKeyBUOHSTRGFXYQQW-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide

1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide (PubChem CID 2123750) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
PubChem CID2123750
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-22(20(26)17-3-2-12-28-17)15-4-6-16(7-5-15)27-13-18(24)23-10-8-14(9-11-23)19(21)25/h2-7,12,14H,8-11,13H2,1H3,(H2,21,25)
InChIKeyBUOHSTRGFXYQQW-UHFFFAOYSA-N
XLogP2.13
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
3-Butoxy-N-(4-methoxyphenyl)-N-[(thiophen-2-YL)methyl]benzamide
CID 16015934
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
Thiophene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9999428
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
3-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10407915
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide (CID 2123750) is 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide is CN(C(=O)c1cccs1)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
The InChIKey is BUOHSTRGFXYQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-22(20(26)17-3-2-12-28-17)15-4-6-16(7-5-15)27-13-18(24)23-10-8-14(9-11-23)19(21)25/h2-7,12,14H,8-11,13H2,1H3,(H2,21,25).
What are the key properties of 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide?
1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[methyl(thiophene-2-carbonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 2123750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).