N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C27H28N4O2S — CID 1280485

IUPACN-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C27H28N4O2S/c1-19-20(2)34-27(29-26(32)23-11-7-17-33-23)24(19)25(21-8-6-12-28-18-21)31-15-13-30(14-16-31)22-9-4-3-5-10-22/h3-12,17-18,25H,13-16H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyPSNRECAJSALLGX-VWLOTQADSA-N
MW472.61 g/mol
LogP5.52
Rot. Bonds6

About N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 1280485) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID1280485
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C27H28N4O2S/c1-19-20(2)34-27(29-26(32)23-11-7-17-33-23)24(19)25(21-8-6-12-28-18-21)31-15-13-30(14-16-31)22-9-4-3-5-10-22/h3-12,17-18,25H,13-16H2,1-2H3,(H,29,32)/t25-/m0/s1
InChIKeyPSNRECAJSALLGX-VWLOTQADSA-N
XLogP5.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4,5-dimethyl-3-[morpholin-4-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 3856176
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4586270
N-[3-[[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4223092
N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide
CID 4128134
N-[3-[(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 18833775
N-[4,5-dimethyl-3-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479786
N-[5-methyl-3-[(R)-(4-methylpiperidin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479213
N-[3-[(R)-(4-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 42373623
N-[3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479450
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3503410
N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4825625
N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-1-yl)-phenylmethyl]thiophen-2-yl]thiophene-2-carboxamide
CID 93479663

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 1280485) is N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PSNRECAJSALLGX-VWLOTQADSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-19-20(2)34-27(29-26(32)23-11-7-17-33-23)24(19)25(21-8-6-12-28-18-21)31-15-13-30(14-16-31)22-9-4-3-5-10-22/h3-12,17-18,25H,13-16H2,1-2H3,(H,29,32)/t25-/m0/s1.
What are the key properties of N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1280485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).