1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C22H31N5O4S2 — CID 653564

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CCN4CCCCC4)s3)CC2)cc1
InChIInChI=1S/C22H31N5O4S2/c1-31-18-5-7-19(8-6-18)33(29,30)27-15-9-17(10-16-27)21(28)23-22-25-24-20(32-22)11-14-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,25,28)
InChIKeyYPOIZDNCDSUVPW-UHFFFAOYSA-N
MW493.66 g/mol
LogP2.61
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 653564) has the molecular formula C22H31N5O4S2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID653564
Molecular FormulaC22H31N5O4S2
Molecular Weight493.66 g/mol
Exact Mass493.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CCN4CCCCC4)s3)CC2)cc1
InChIInChI=1S/C22H31N5O4S2/c1-31-18-5-7-19(8-6-18)33(29,30)27-15-9-17(10-16-27)21(28)23-22-25-24-20(32-22)11-14-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,25,28)
InChIKeyYPOIZDNCDSUVPW-UHFFFAOYSA-N
XLogP2.61
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214739
(Z)-N-(5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene)-1-[(4-methoxyphenyl)sulfonyl]prolinamide
CID 3874953
1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid (5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 656238
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4616513
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxobutanamide
CID 4872315
1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16257598
4-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1623710
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3192928
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31912931
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55908059
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 56075430
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56075649

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 653564) is 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CCN4CCCCC4)s3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YPOIZDNCDSUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S2/c1-31-18-5-7-19(8-6-18)33(29,30)27-15-9-17(10-16-27)21(28)23-22-25-24-20(32-22)11-14-26-12-3-2-4-13-26/h5-8,17H,2-4,9-16H2,1H3,(H,23,25,28).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 493.66 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 653564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).