2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide

C15H18N4O4S2 — CID 28695722

IUPAC2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C15H18N4O4S2/c1-3-14-18-19-15(24-14)17-13(21)9-25(22,23)8-12(20)16-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyURKTVLFPUUATDM-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide

2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide (PubChem CID 28695722) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
PubChem CID28695722
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
SMILESCCc1nnc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C15H18N4O4S2/c1-3-14-18-19-15(24-14)17-13(21)9-25(22,23)8-12(20)16-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyURKTVLFPUUATDM-UHFFFAOYSA-N
XLogP1.40
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide with MolForge

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Related Compounds

N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 17417141
N-(3-methylphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368875
2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1335326
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591
2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531604
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide (CID 28695722) is 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide is CCc1nnc(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(C)c2)s1.
What is the InChIKey of 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
The InChIKey is URKTVLFPUUATDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-3-14-18-19-15(24-14)17-13(21)9-25(22,23)8-12(20)16-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide?
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 28695722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).