(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide

C22H32N4O2S — CID 24893524

IUPAC(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(C)C
InChIInChI=1S/C22H32N4O2S/c1-6-8-11-17(7-2)21(28)26(15(3)4)14-19(27)23-22-25-24-20(29-22)18-12-9-10-16(5)13-18/h9-10,12-13,15,17H,6-8,11,14H2,1-5H3,(H,23,25,27)
InChIKeyNAWINEPXRHAAFG-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.91
Rot. Bonds10

About (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide

(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide (PubChem CID 24893524) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
PubChem CID24893524
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(C)C
InChIInChI=1S/C22H32N4O2S/c1-6-8-11-17(7-2)21(28)26(15(3)4)14-19(27)23-22-25-24-20(29-22)18-12-9-10-16(5)13-18/h9-10,12-13,15,17H,6-8,11,14H2,1-5H3,(H,23,25,27)
InChIKeyNAWINEPXRHAAFG-UHFFFAOYSA-N
XLogP4.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The IUPAC name of (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide (CID 24893524) is (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide is CCCCC(CC)C(=O)N(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(C)C.
What is the InChIKey of (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The InChIKey is NAWINEPXRHAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-6-8-11-17(7-2)21(28)26(15(3)4)14-19(27)23-22-25-24-20(29-22)18-12-9-10-16(5)13-18/h9-10,12-13,15,17H,6-8,11,14H2,1-5H3,(H,23,25,27).
What are the key properties of (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide has a molecular weight of 416.59 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide is sourced from PubChem (CID 24893524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).