N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C21H25N5O3S2 — CID 32581307

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C21H25N5O3S2/c1-2-25-15-22-24-21(25)16-7-6-8-17(13-16)23-19(27)14-18-9-10-20(30-18)31(28,29)26-11-4-3-5-12-26/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,23,27)
InChIKeyHTAULVRLKPIECZ-UHFFFAOYSA-N
MW459.60 g/mol
LogP3.38
Rot. Bonds7

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 32581307) has the molecular formula C21H25N5O3S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID32581307
Molecular FormulaC21H25N5O3S2
Molecular Weight459.60 g/mol
Exact Mass459.14
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C21H25N5O3S2/c1-2-25-15-22-24-21(25)16-7-6-8-17(13-16)23-19(27)14-18-9-10-20(30-18)31(28,29)26-11-4-3-5-12-26/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,23,27)
InChIKeyHTAULVRLKPIECZ-UHFFFAOYSA-N
XLogP3.38
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 46553189
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 32581307) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CCn1cnnc1-c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is HTAULVRLKPIECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S2/c1-2-25-15-22-24-21(25)16-7-6-8-17(13-16)23-19(27)14-18-9-10-20(30-18)31(28,29)26-11-4-3-5-12-26/h6-10,13,15H,2-5,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 459.60 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 32581307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).