N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H23N3O3S — CID 28784342

IUPACN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,16-13(20)12-4-3-11-22-12)14(21)18-7-5-17(6-8-18)9-10-19/h3-4,11,19H,5-10H2,1-2H3,(H,16,20)
InChIKeyDSKILPTVNROIRF-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.39
Rot. Bonds5

About N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 28784342) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID28784342
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,16-13(20)12-4-3-11-22-12)14(21)18-7-5-17(6-8-18)9-10-19/h3-4,11,19H,5-10H2,1-2H3,(H,16,20)
InChIKeyDSKILPTVNROIRF-UHFFFAOYSA-N
XLogP0.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 28784342) is N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is DSKILPTVNROIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,16-13(20)12-4-3-11-22-12)14(21)18-7-5-17(6-8-18)9-10-19/h3-4,11,19H,5-10H2,1-2H3,(H,16,20).
What are the key properties of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 28784342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).