2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide

C23H34N4O2S — CID 3429182

IUPAC2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)NC(C(=O)Nc1nnc(-c2ccc(C)cc2)s1)C(C)CC
InChIInChI=1S/C23H34N4O2S/c1-6-9-10-17(8-3)20(28)24-19(16(5)7-2)21(29)25-23-27-26-22(30-23)18-13-11-15(4)12-14-18/h11-14,16-17,19H,6-10H2,1-5H3,(H,24,28)(H,25,27,29)
InChIKeyTVJOZOJWPJBVED-UHFFFAOYSA-N
MW430.62 g/mol
LogP5.20
Rot. Bonds11

About 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide

2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide (PubChem CID 3429182) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide
PubChem CID3429182
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide
SMILESCCCCC(CC)C(=O)NC(C(=O)Nc1nnc(-c2ccc(C)cc2)s1)C(C)CC
InChIInChI=1S/C23H34N4O2S/c1-6-9-10-17(8-3)20(28)24-19(16(5)7-2)21(29)25-23-27-26-22(30-23)18-13-11-15(4)12-14-18/h11-14,16-17,19H,6-10H2,1-5H3,(H,24,28)(H,25,27,29)
InChIKeyTVJOZOJWPJBVED-UHFFFAOYSA-N
XLogP5.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]heptanamide
CID 7283084
2-ethyl-N-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]hexanamide
CID 4607088
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
N-[(2R,3S)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7373852
(2R,3S)-3-methyl-2-(pentanoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 7338677
2-[(4-ethylphenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 4669965
2-methyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide
CID 3348952
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]nonanamide
CID 5033038
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]octanamide
CID 4679515
2-amino-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 42757431
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]heptanamide
CID 5236860
N-[(2S,3R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]octanamide
CID 98396041

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide?
The IUPAC name of 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide (CID 3429182) is 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide?
The canonical SMILES for 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide is CCCCC(CC)C(=O)NC(C(=O)Nc1nnc(-c2ccc(C)cc2)s1)C(C)CC.
What is the InChIKey of 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide?
The InChIKey is TVJOZOJWPJBVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-6-9-10-17(8-3)20(28)24-19(16(5)7-2)21(29)25-23-27-26-22(30-23)18-13-11-15(4)12-14-18/h11-14,16-17,19H,6-10H2,1-5H3,(H,24,28)(H,25,27,29).
What are the key properties of 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide?
2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide has a molecular weight of 430.62 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 3429182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).