2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C12H16N4O2S2 — CID 96524185

IUPAC2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)C[S@@](=O)c2nncn2C)c(C)c1C
InChIInChI=1S/C12H16N4O2S2/c1-7-8(2)11(19-9(7)3)14-10(17)5-20(18)12-15-13-6-16(12)4/h6H,5H2,1-4H3,(H,14,17)/t20-/m1/s1
InChIKeyDCJZJSHNCJRSLC-HXUWFJFHSA-N
MW312.42 g/mol
LogP1.55
Rot. Bonds4

About 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 96524185) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID96524185
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)C[S@@](=O)c2nncn2C)c(C)c1C
InChIInChI=1S/C12H16N4O2S2/c1-7-8(2)11(19-9(7)3)14-10(17)5-20(18)12-15-13-6-16(12)4/h6H,5H2,1-4H3,(H,14,17)/t20-/m1/s1
InChIKeyDCJZJSHNCJRSLC-HXUWFJFHSA-N
XLogP1.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 71971323
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
ethyl 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8987861
ethyl 4,5-dimethyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 2572914
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 109397793
methyl 5-methyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 17307824
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1151027
3-methyl-N-(4-methyl-1,2,4-triazol-3-yl)but-2-enamide
CID 131084608
ethyl 4,5-dimethyl-2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 16518644
3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
CID 130993463
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 96524185) is 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)C[S@@](=O)c2nncn2C)c(C)c1C.
What is the InChIKey of 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is DCJZJSHNCJRSLC-HXUWFJFHSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-7-8(2)11(19-9(7)3)14-10(17)5-20(18)12-15-13-6-16(12)4/h6H,5H2,1-4H3,(H,14,17)/t20-/m1/s1.
What are the key properties of 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 96524185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).