N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C29H34N4O4S — CID 166626672

IUPACN-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H34N4O4S/c34-29(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)37-19-18-32-14-16-33(17-15-32)38(35,36)28-12-13-28/h1-11,22,28H,12-21H2,(H,31,34)
InChIKeyWGDAEMDFPSPXEC-UHFFFAOYSA-N
MW534.68 g/mol
LogP3.10
Rot. Bonds11

About N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166626672) has the molecular formula C29H34N4O4S and a molecular weight of 534.68 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166626672
Molecular FormulaC29H34N4O4S
Molecular Weight534.68 g/mol
Exact Mass534.23
IUPAC NameN-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1
InChIInChI=1S/C29H34N4O4S/c34-29(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)37-19-18-32-14-16-33(17-15-32)38(35,36)28-12-13-28/h1-11,22,28H,12-21H2,(H,31,34)
InChIKeyWGDAEMDFPSPXEC-UHFFFAOYSA-N
XLogP3.10
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tirbanibulin
CID 23635314
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide
CID 71061659
3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-2-ylmethyl)propanamide
CID 71061756
4-[2-(4-Methoxyphenyl)phenyl]-N-(2-pyridinylmethyl)-1-piperazinehexanamide
CID 71062035
4-[2-(4-Methoxyphenyl) phenyl]-N-(3-pyridinylmethyl)-1-piperazinehexanamide
CID 71062123
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166626691
2-(4-tert-butyl-N-ethenylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-3-ylacetamide
CID 166626759

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166626672) is N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2)cn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is WGDAEMDFPSPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4S/c34-29(31-21-23-4-2-1-3-5-23)20-26-9-6-25(22-30-26)24-7-10-27(11-8-24)37-19-18-32-14-16-33(17-15-32)38(35,36)28-12-13-28/h1-11,22,28H,12-21H2,(H,31,34).
What are the key properties of N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 534.68 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(4-cyclopropylsulfonylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166626672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).