N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide

C25H28N4O4S — CID 42691397

IUPACN-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(NC(=O)COC)cn4)CC3)s2)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-33-20-7-4-18(5-8-20)21-9-10-22(34-21)25(31)29-14-12-28(13-15-29)23-11-6-19(16-26-23)27-24(30)17-32-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,30)
InChIKeyAPHPPWXKEFGOQH-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.76
Rot. Bonds8

About N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide

N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide (PubChem CID 42691397) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide
PubChem CID42691397
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(NC(=O)COC)cn4)CC3)s2)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-33-20-7-4-18(5-8-20)21-9-10-22(34-21)25(31)29-14-12-28(13-15-29)23-11-6-19(16-26-23)27-24(30)17-32-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,30)
InChIKeyAPHPPWXKEFGOQH-UHFFFAOYSA-N
XLogP3.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide (CID 42691397) is N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide is CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(NC(=O)COC)cn4)CC3)s2)cc1.
What is the InChIKey of N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide?
The InChIKey is APHPPWXKEFGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-3-33-20-7-4-18(5-8-20)21-9-10-22(34-21)25(31)29-14-12-28(13-15-29)23-11-6-19(16-26-23)27-24(30)17-32-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide?
N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide has a molecular weight of 480.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[5-(4-ethoxyphenyl)thiophene-2-carbonyl]piperazin-1-yl]-3-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 42691397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).