N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C19H23N3O2S — CID 9266840

IUPACN-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,23)
InChIKeyBKDFAPRRRJHZDP-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.76
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 9266840) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID9266840
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,23)
InChIKeyBKDFAPRRRJHZDP-UHFFFAOYSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 9266840) is N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BKDFAPRRRJHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9266840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).