N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C25H26FN3O2S — CID 20877800

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCN3CCN(c4ccccc4F)CC3)cc1CO2
InChIInChI=1S/C25H26FN3O2S/c1-17-5-4-8-21-23(17)24-18(16-31-21)15-22(32-24)25(30)27-9-10-28-11-13-29(14-12-28)20-7-3-2-6-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,30)
InChIKeyFDKDXKWWHNUUIB-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.31
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877800) has the molecular formula C25H26FN3O2S and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877800
Molecular FormulaC25H26FN3O2S
Molecular Weight451.57 g/mol
Exact Mass451.17
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)NCCN3CCN(c4ccccc4F)CC3)cc1CO2
InChIInChI=1S/C25H26FN3O2S/c1-17-5-4-8-21-23(17)24-18(16-31-21)15-22(32-24)25(30)27-9-10-28-11-13-29(14-12-28)20-7-3-2-6-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,30)
InChIKeyFDKDXKWWHNUUIB-UHFFFAOYSA-N
XLogP4.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 56517535
N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877826
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N-(4-bromo-2-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877708
N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 92666787
9-methyl-N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877802
methyl 6-[(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)amino]-1,3-benzodioxole-5-carboxylate
CID 20877822
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877800) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)NCCN3CCN(c4ccccc4F)CC3)cc1CO2.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is FDKDXKWWHNUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2S/c1-17-5-4-8-21-23(17)24-18(16-31-21)15-22(32-24)25(30)27-9-10-28-11-13-29(14-12-28)20-7-3-2-6-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).