N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C20H21FN6O3S — CID 55992374

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C20H21FN6O3S/c21-18-9-6-16(27-14-22-24-25-27)13-19(18)23-20(28)12-15-4-7-17(8-5-15)31(29,30)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,23,28)
InChIKeyOTJXFEXSWPDYSH-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.16
Rot. Bonds6

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55992374) has the molecular formula C20H21FN6O3S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55992374
Molecular FormulaC20H21FN6O3S
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C20H21FN6O3S/c21-18-9-6-16(27-14-22-24-25-27)13-19(18)23-20(28)12-15-4-7-17(8-5-15)31(29,30)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,23,28)
InChIKeyOTJXFEXSWPDYSH-UHFFFAOYSA-N
XLogP2.16
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55780608
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600606

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 55992374) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is OTJXFEXSWPDYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S/c21-18-9-6-16(27-14-22-24-25-27)13-19(18)23-20(28)12-15-4-7-17(8-5-15)31(29,30)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2,(H,23,28).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 444.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55992374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).