N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C20H18Cl2N4OS2 — CID 60564122

IUPACN-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Sc1nnc(N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C20H18Cl2N4OS2/c21-14-10-15(22)12-16(11-14)23-18(27)17(13-6-2-1-3-7-13)28-20-25-24-19(29-20)26-8-4-5-9-26/h1-3,6-7,10-12,17H,4-5,8-9H2,(H,23,27)
InChIKeyILJLZGZLFGFNAR-UHFFFAOYSA-N
MW465.43 g/mol
LogP5.92
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 60564122) has the molecular formula C20H18Cl2N4OS2 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID60564122
Molecular FormulaC20H18Cl2N4OS2
Molecular Weight465.43 g/mol
Exact Mass464.03
IUPAC NameN-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(Sc1nnc(N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C20H18Cl2N4OS2/c21-14-10-15(22)12-16(11-14)23-18(27)17(13-6-2-1-3-7-13)28-20-25-24-19(29-20)26-8-4-5-9-26/h1-3,6-7,10-12,17H,4-5,8-9H2,(H,23,27)
InChIKeyILJLZGZLFGFNAR-UHFFFAOYSA-N
XLogP5.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopropyl-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 94458856
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CID 2427044
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 41184018
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
N-(2-chloro-5-nitrophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60563878
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 55996127
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
CID 46666473
N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
CID 135502847
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 5237403
2-[[4-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785348
N-(2-chloro-4-fluorophenyl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 60563813

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 60564122) is N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(Sc1nnc(N2CCCC2)s1)c1ccccc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ILJLZGZLFGFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4OS2/c21-14-10-15(22)12-16(11-14)23-18(27)17(13-6-2-1-3-7-13)28-20-25-24-19(29-20)26-8-4-5-9-26/h1-3,6-7,10-12,17H,4-5,8-9H2,(H,23,27).
What are the key properties of N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 465.43 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-phenyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 60564122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).