2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide

C27H32N4O3S — CID 170178044

IUPAC2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1CN1CCOCC1
InChIInChI=1S/C27H32N4O3S/c1-33-25-13-20(6-7-21(25)17-31-8-10-34-11-9-31)23-15-28-16-24(30-23)26-14-22(18-35-26)29-27(32)12-19-4-2-3-5-19/h6-7,13-16,18-19H,2-5,8-12,17H2,1H3,(H,29,32)
InChIKeyNPMOSKQCPUDOAS-UHFFFAOYSA-N
MW492.65 g/mol
LogP5.23
Rot. Bonds8

About 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide

2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide (PubChem CID 170178044) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
PubChem CID170178044
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1CN1CCOCC1
InChIInChI=1S/C27H32N4O3S/c1-33-25-13-20(6-7-21(25)17-31-8-10-34-11-9-31)23-15-28-16-24(30-23)26-14-22(18-35-26)29-27(32)12-19-4-2-3-5-19/h6-7,13-16,18-19H,2-5,8-12,17H2,1H3,(H,29,32)
InChIKeyNPMOSKQCPUDOAS-UHFFFAOYSA-N
XLogP5.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178531
4-[6-[4-[(2-cyclobutylacetyl)amino]thiophen-2-yl]pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylbenzamide
CID 170178074
4-[6-[4-[[2-(3-fluorocyclobutyl)acetyl]amino]thiophen-2-yl]pyrazin-2-yl]-2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 170178172
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
4-[6-[4-[[2-(1-aminocyclobutyl)acetyl]amino]thiophen-2-yl]pyrazin-2-yl]-2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 170178175
2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
CID 170177984
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386987
[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]-thiophen-3-ylmethanone
CID 70063959

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide (CID 170178044) is 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide is COc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1CN1CCOCC1.
What is the InChIKey of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The InChIKey is NPMOSKQCPUDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-33-25-13-20(6-7-21(25)17-31-8-10-34-11-9-31)23-15-28-16-24(30-23)26-14-22(18-35-26)29-27(32)12-19-4-2-3-5-19/h6-7,13-16,18-19H,2-5,8-12,17H2,1H3,(H,29,32).
What are the key properties of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide has a molecular weight of 492.65 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide is sourced from PubChem (CID 170178044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).