N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C20H19F3N6O4S — CID 2107021

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19F3N6O4S/c21-20(22,23)15-3-1-2-14(12-15)19-25-27-29(26-19)13-18(30)24-16-4-6-17(7-5-16)34(31,32)28-8-10-33-11-9-28/h1-7,12H,8-11,13H2,(H,24,30)
InChIKeyAMTWRSFAGVLAAY-UHFFFAOYSA-N
MW496.47 g/mol
LogP2.02
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 2107021) has the molecular formula C20H19F3N6O4S and a molecular weight of 496.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID2107021
Molecular FormulaC20H19F3N6O4S
Molecular Weight496.47 g/mol
Exact Mass496.11
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19F3N6O4S/c21-20(22,23)15-3-1-2-14(12-15)19-25-27-29(26-19)13-18(30)24-16-4-6-17(7-5-16)34(31,32)28-8-10-33-11-9-28/h1-7,12H,8-11,13H2,(H,24,30)
InChIKeyAMTWRSFAGVLAAY-UHFFFAOYSA-N
XLogP2.02
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 1265779
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 26675509
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
2-[[2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]acetamide
CID 8681717
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4765482
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 5095332

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 2107021) is N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is AMTWRSFAGVLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O4S/c21-20(22,23)15-3-1-2-14(12-15)19-25-27-29(26-19)13-18(30)24-16-4-6-17(7-5-16)34(31,32)28-8-10-33-11-9-28/h1-7,12H,8-11,13H2,(H,24,30).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 496.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 2107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).