N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

C26H30N4O2S — CID 3200689

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1C
InChIInChI=1S/C26H30N4O2S/c1-18-13-14-20(15-19(18)2)17-30(26(32)23-16-27-33-29-23)24(21-9-5-3-6-10-21)25(31)28-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22,24H,4,7-8,11-12,17H2,1-2H3,(H,28,31)
InChIKeyGXSLGDNPKJTKEB-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.99
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 3200689) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID3200689
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1C
InChIInChI=1S/C26H30N4O2S/c1-18-13-14-20(15-19(18)2)17-30(26(32)23-16-27-33-29-23)24(21-9-5-3-6-10-21)25(31)28-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22,24H,4,7-8,11-12,17H2,1-2H3,(H,28,31)
InChIKeyGXSLGDNPKJTKEB-UHFFFAOYSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 3200688
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 5124309
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
[3-[[acetyl-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]amino]methyl]phenyl]boronic acid
CID 102220640
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3184635
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184838
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133251482
N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205958
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3816372

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 3200689) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is Cc1ccc(CN(C(=O)c2cnsn2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is GXSLGDNPKJTKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-18-13-14-20(15-19(18)2)17-30(26(32)23-16-27-33-29-23)24(21-9-5-3-6-10-21)25(31)28-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22,24H,4,7-8,11-12,17H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-[(3,4-dimethylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 3200689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).