N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C24H29N5O3S3 — CID 23987992

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1
InChIInChI=1S/C24H29N5O3S3/c1-17(2)18-6-8-20(9-7-18)26-23-27-28-24(34-23)33-16-22(30)25-19-10-12-21(13-11-19)35(31,32)29-14-4-3-5-15-29/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyARNUXDHLSFFMHN-UHFFFAOYSA-N
MW531.73 g/mol
LogP5.31
Rot. Bonds9

About N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 23987992) has the molecular formula C24H29N5O3S3 and a molecular weight of 531.73 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID23987992
Molecular FormulaC24H29N5O3S3
Molecular Weight531.73 g/mol
Exact Mass531.14
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1
InChIInChI=1S/C24H29N5O3S3/c1-17(2)18-6-8-20(9-7-18)26-23-27-28-24(34-23)33-16-22(30)25-19-10-12-21(13-11-19)35(31,32)29-14-4-3-5-15-29/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyARNUXDHLSFFMHN-UHFFFAOYSA-N
XLogP5.31
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.73
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 44956758
2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 7891281
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 23733304
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 27788677
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 628005
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
N-(4-propan-2-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909930
N-(4-morpholin-4-ylsulfonylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517878
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 16578573

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 23987992) is N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ARNUXDHLSFFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S3/c1-17(2)18-6-8-20(9-7-18)26-23-27-28-24(34-23)33-16-22(30)25-19-10-12-21(13-11-19)35(31,32)29-14-4-3-5-15-29/h6-13,17H,3-5,14-16H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 531.73 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 23987992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).