N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C16H22N4O3S2 — CID 29410693

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCCc1nnc(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H22N4O3S2/c1-5-14-19-20-16(24-14)18-13(21)6-7-17-25(22,23)15-11(3)8-10(2)9-12(15)4/h8-9,17H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyIFJXCOCPXBPBCE-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.33
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 29410693) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID29410693
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCCc1nnc(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)s1
InChIInChI=1S/C16H22N4O3S2/c1-5-14-19-20-16(24-14)18-13(21)6-7-17-25(22,23)15-11(3)8-10(2)9-12(15)4/h8-9,17H,5-7H2,1-4H3,(H,18,20,21)
InChIKeyIFJXCOCPXBPBCE-UHFFFAOYSA-N
XLogP2.33
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55524211
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26046308
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
3-bromo-N-[2-[5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193848
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 29410693) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is CCc1nnc(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is IFJXCOCPXBPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-5-14-19-20-16(24-14)18-13(21)6-7-17-25(22,23)15-11(3)8-10(2)9-12(15)4/h8-9,17H,5-7H2,1-4H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 29410693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).