N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide

C20H21ClN4O4S2 — CID 2159038

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C20H21ClN4O4S2/c1-2-14-5-3-4-12-25(14)31(27,28)15-8-6-13(7-9-15)18(26)22-20-24-23-19(29-20)16-10-11-17(21)30-16/h6-11,14H,2-5,12H2,1H3,(H,22,24,26)/t14-/m1/s1
InChIKeyZQZHLXFQMRQJDO-CQSZACIVSA-N
MW481.00 g/mol
LogP4.66
Rot. Bonds6

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 2159038) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide
PubChem CID2159038
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1
InChIInChI=1S/C20H21ClN4O4S2/c1-2-14-5-3-4-12-25(14)31(27,28)15-8-6-13(7-9-15)18(26)22-20-24-23-19(29-20)16-10-11-17(21)30-16/h6-11,14H,2-5,12H2,1H3,(H,22,24,26)/t14-/m1/s1
InChIKeyZQZHLXFQMRQJDO-CQSZACIVSA-N
XLogP4.66
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzamide
CID 2159037
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2057813
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977174
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43974344
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2159031
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5055376
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4186489
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide (CID 2159038) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is ZQZHLXFQMRQJDO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-2-14-5-3-4-12-25(14)31(27,28)15-8-6-13(7-9-15)18(26)22-20-24-23-19(29-20)16-10-11-17(21)30-16/h6-11,14H,2-5,12H2,1H3,(H,22,24,26)/t14-/m1/s1.
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 481.00 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 2159038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).