(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

C22H24N4O4S2 — CID 56947228

IUPAC(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-15-6-12-18(13-7-15)32(28,29)26-14-4-3-5-19(26)20(27)23-22-25-24-21(31-22)16-8-10-17(30-2)11-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25,27)/t19-/m1/s1
InChIKeyQDVMTZJCMNKDGP-LJQANCHMSA-N
MW472.59 g/mol
LogP3.70
Rot. Bonds6

About (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 56947228) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID56947228
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-15-6-12-18(13-7-15)32(28,29)26-14-4-3-5-19(26)20(27)23-22-25-24-21(31-22)16-8-10-17(30-2)11-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25,27)/t19-/m1/s1
InChIKeyQDVMTZJCMNKDGP-LJQANCHMSA-N
XLogP3.70
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide (CID 56947228) is (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is COc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)s2)cc1.
What is the InChIKey of (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is QDVMTZJCMNKDGP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-15-6-12-18(13-7-15)32(28,29)26-14-4-3-5-19(26)20(27)23-22-25-24-21(31-22)16-8-10-17(30-2)11-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 56947228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).