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

C19H18F2N4O3S3 — CID 24572341

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H18F2N4O3S3/c20-17(21)31(27,28)15-8-6-14(7-9-15)23-16(26)12-29-19-25-24-18(30-19)22-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,22,24)(H,23,26)
InChIKeyJPONKNLYEIHXLX-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.92
Rot. Bonds10

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

N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24572341) has the molecular formula C19H18F2N4O3S3 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID24572341
Molecular FormulaC19H18F2N4O3S3
Molecular Weight484.58 g/mol
Exact Mass484.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H18F2N4O3S3/c20-17(21)31(27,28)15-8-6-14(7-9-15)23-16(26)12-29-19-25-24-18(30-19)22-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,22,24)(H,23,26)
InChIKeyJPONKNLYEIHXLX-UHFFFAOYSA-N
XLogP3.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17433020
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 7096138
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7855296
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2644921
3-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 25499126
N-(4-propan-2-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8909930
2-benzylsulfanyl-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40827744
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 5193892
2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 42041858
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 2400798
2-benzylsulfanyl-N-[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 44956963

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24572341) is N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JPONKNLYEIHXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S3/c20-17(21)31(27,28)15-8-6-14(7-9-15)23-16(26)12-29-19-25-24-18(30-19)22-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,22,24)(H,23,26).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24572341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).