N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide

C18H20N4OS — CID 129416978

IUPACN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-13(2)16(12-22-19-9-10-20-22)21-18(23)15-7-5-14(6-8-15)17-4-3-11-24-17/h3-11,13,16H,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyJXDDXPIKPKWHPR-INIZCTEOSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds6

About N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide

N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide (PubChem CID 129416978) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
PubChem CID129416978
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H20N4OS/c1-13(2)16(12-22-19-9-10-20-22)21-18(23)15-7-5-14(6-8-15)17-4-3-11-24-17/h3-11,13,16H,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyJXDDXPIKPKWHPR-INIZCTEOSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide (CID 129416978) is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide is CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide?
The InChIKey is JXDDXPIKPKWHPR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13(2)16(12-22-19-9-10-20-22)21-18(23)15-7-5-14(6-8-15)17-4-3-11-24-17/h3-11,13,16H,12H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide?
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 129416978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).