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

C26H29FN4O2S — CID 46868624

IUPACN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C26H29FN4O2S/c1-16-9-12-19(13-10-16)24(25(32)28-20-7-5-4-6-8-20)31(21-14-11-17(2)22(27)15-21)26(33)23-18(3)34-30-29-23/h9-15,20,24H,4-8H2,1-3H3,(H,28,32)
InChIKeyBXFRREIRWPIDHM-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.44
Rot. Bonds6

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

N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide (PubChem CID 46868624) has the molecular formula C26H29FN4O2S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
PubChem CID46868624
Molecular FormulaC26H29FN4O2S
Molecular Weight480.61 g/mol
Exact Mass480.20
IUPAC NameN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C26H29FN4O2S/c1-16-9-12-19(13-10-16)24(25(32)28-20-7-5-4-6-8-20)31(21-14-11-17(2)22(27)15-21)26(33)23-18(3)34-30-29-23/h9-15,20,24H,4-8H2,1-3H3,(H,28,32)
InChIKeyBXFRREIRWPIDHM-UHFFFAOYSA-N
XLogP5.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide
CID 46868482
N-[1-(3-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276670
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276672
N-(3-fluoro-4-methylphenyl)-N-[1-(2-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-5-methylthiadiazole-4-carboxamide
CID 46867918
N-(3-fluoro-4-methylphenyl)-5-methyl-N-[1-(2-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]thiadiazole-4-carboxamide
CID 46868057
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
4-amino-5-N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3185317
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,2-thiazole-3-carboxamide
CID 3197093
4-amino-5-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(3,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3173289
N-(3-chloro-4-methylphenyl)-5-methyl-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]thiadiazole-4-carboxamide
CID 46867374
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(3-fluoro-4-methylphenyl)acetamide
CID 1083909
4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 3197168

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide (CID 46868624) is N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide?
The InChIKey is BXFRREIRWPIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2S/c1-16-9-12-19(13-10-16)24(25(32)28-20-7-5-4-6-8-20)31(21-14-11-17(2)22(27)15-21)26(33)23-18(3)34-30-29-23/h9-15,20,24H,4-8H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.44, 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-(4-methylphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 46868624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).