N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide

C19H17Cl2FN4O4S2 — CID 170115629

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESC[C@H]1C[C@@H](F)CN(S(=O)(=O)c2csc(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4)o3)c2)C1
InChIInChI=1S/C19H17Cl2FN4O4S2/c1-10-2-14(22)8-26(7-10)32(28,29)15-6-16(31-9-15)17(27)23-19-25-24-18(30-19)11-3-12(20)5-13(21)4-11/h3-6,9-10,14H,2,7-8H2,1H3,(H,23,25,27)/t10-,14+/m0/s1
InChIKeyCAHIGKPHCDKSAV-IINYFYTJSA-N
MW519.41 g/mol
LogP4.73
Rot. Bonds5

About N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 170115629) has the molecular formula C19H17Cl2FN4O4S2 and a molecular weight of 519.41 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID170115629
Molecular FormulaC19H17Cl2FN4O4S2
Molecular Weight519.41 g/mol
Exact Mass518.01
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESC[C@H]1C[C@@H](F)CN(S(=O)(=O)c2csc(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4)o3)c2)C1
InChIInChI=1S/C19H17Cl2FN4O4S2/c1-10-2-14(22)8-26(7-10)32(28,29)15-6-16(31-9-15)17(27)23-19-25-24-18(30-19)11-3-12(20)5-13(21)4-11/h3-6,9-10,14H,2,7-8H2,1H3,(H,23,25,27)/t10-,14+/m0/s1
InChIKeyCAHIGKPHCDKSAV-IINYFYTJSA-N
XLogP4.73
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27261158
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25328763
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43976412
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 25328609
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
CID 146173466
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16821788
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27262017
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4992936
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2057755

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide (CID 170115629) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide is C[C@H]1C[C@@H](F)CN(S(=O)(=O)c2csc(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4)o3)c2)C1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is CAHIGKPHCDKSAV-IINYFYTJSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O4S2/c1-10-2-14(22)8-26(7-10)32(28,29)15-6-16(31-9-15)17(27)23-19-25-24-18(30-19)11-3-12(20)5-13(21)4-11/h3-6,9-10,14H,2,7-8H2,1H3,(H,23,25,27)/t10-,14+/m0/s1.
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 519.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R,5S)-3-fluoro-5-methylpiperidin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 170115629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).