N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide

C16H20N4O3S2 — CID 11903225

IUPACN-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide
SMILESCCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C16H20N4O3S2/c1-4-14-19-20-16(24-14)18-13(22)9-25(23)8-12(21)17-15-10(2)6-5-7-11(15)3/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,20,22)/t25-/m0/s1
InChIKeyMSCBEJSJPLCGDV-VWLOTQADSA-N
MW380.50 g/mol
LogP2.04
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide

N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide (PubChem CID 11903225) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide
PubChem CID11903225
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide
SMILESCCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C16H20N4O3S2/c1-4-14-19-20-16(24-14)18-13(22)9-25(23)8-12(21)17-15-10(2)6-5-7-11(15)3/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,20,22)/t25-/m0/s1
InChIKeyMSCBEJSJPLCGDV-VWLOTQADSA-N
XLogP2.04
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6464660
N-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 3220481
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 28695722
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2175403

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide (CID 11903225) is N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide is CCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2c(C)cccc2C)s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide?
The InChIKey is MSCBEJSJPLCGDV-VWLOTQADSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-4-14-19-20-16(24-14)18-13(22)9-25(23)8-12(21)17-15-10(2)6-5-7-11(15)3/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,18,20,22)/t25-/m0/s1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(S)-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinyl]acetamide is sourced from PubChem (CID 11903225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).