N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

C25H26F2N4O2S — CID 45276672

IUPACN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2snnc2C)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1F
InChIInChI=1S/C25H26F2N4O2S/c1-15-12-13-18(14-21(15)27)31(25(33)23-16(2)29-30-34-23)22(19-10-6-7-11-20(19)26)24(32)28-17-8-4-3-5-9-17/h6-7,10-14,17,22H,3-5,8-9H2,1-2H3,(H,28,32)
InChIKeyZJPYTZGQRLGXBT-UHFFFAOYSA-N
MW484.57 g/mol
LogP5.27
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 45276672) has the molecular formula C25H26F2N4O2S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID45276672
Molecular FormulaC25H26F2N4O2S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2snnc2C)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1F
InChIInChI=1S/C25H26F2N4O2S/c1-15-12-13-18(14-21(15)27)31(25(33)23-16(2)29-30-34-23)22(19-10-6-7-11-20(19)26)24(32)28-17-8-4-3-5-9-17/h6-7,10-14,17,22H,3-5,8-9H2,1-2H3,(H,28,32)
InChIKeyZJPYTZGQRLGXBT-UHFFFAOYSA-N
XLogP5.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276670
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
CID 46868624
N-(3-fluoro-4-methylphenyl)-N-[1-(2-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-5-methylthiadiazole-4-carboxamide
CID 46867918
N-[2-(cyclohexylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
CID 46868482
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205979
N-[(1S)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1435776
N-(3-fluoro-4-methylphenyl)-5-methyl-N-[1-(2-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]thiadiazole-4-carboxamide
CID 46868057
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
CID 3202820
N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]prop-2-ynamide
CID 1466125
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide
CID 1083909
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
N-(3-chloro-4-methylphenyl)-N-[1-(2-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-5-methylthiadiazole-4-carboxamide
CID 46867507

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (CID 45276672) is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1ccc(N(C(=O)c2snnc2C)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1F.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is ZJPYTZGQRLGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2S/c1-15-12-13-18(14-21(15)27)31(25(33)23-16(2)29-30-34-23)22(19-10-6-7-11-20(19)26)24(32)28-17-8-4-3-5-9-17/h6-7,10-14,17,22H,3-5,8-9H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 484.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 45276672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).