N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide

C28H38N4O2S — CID 86342263

IUPACN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1ccoc1C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C28H38N4O2S/c1-28(2,3)23-13-19-34-25(23)27(33)29-21-10-8-20(9-11-21)12-14-31-15-17-32(18-16-31)26-22-6-4-5-7-24(22)35-30-26/h4-7,13,19-21H,8-12,14-18H2,1-3H3,(H,29,33)
InChIKeyWVNDCOIKWKQPDK-UHFFFAOYSA-N
MW494.71 g/mol
LogP5.69
Rot. Bonds6

About N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide (PubChem CID 86342263) has the molecular formula C28H38N4O2S and a molecular weight of 494.71 g/mol. Its IUPAC name is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide
PubChem CID86342263
Molecular FormulaC28H38N4O2S
Molecular Weight494.71 g/mol
Exact Mass494.27
IUPAC NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1ccoc1C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C28H38N4O2S/c1-28(2,3)23-13-19-34-25(23)27(33)29-21-10-8-20(9-11-21)12-14-31-15-17-32(18-16-31)26-22-6-4-5-7-24(22)35-30-26/h4-7,13,19-21H,8-12,14-18H2,1-3H3,(H,29,33)
InChIKeyWVNDCOIKWKQPDK-UHFFFAOYSA-N
XLogP5.69
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.71
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide (CID 86342263) is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide is CC(C)(C)c1ccoc1C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide?
The InChIKey is WVNDCOIKWKQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2S/c1-28(2,3)23-13-19-34-25(23)27(33)29-21-10-8-20(9-11-21)12-14-31-15-17-32(18-16-31)26-22-6-4-5-7-24(22)35-30-26/h4-7,13,19-21H,8-12,14-18H2,1-3H3,(H,29,33).
What are the key properties of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide?
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide has a molecular weight of 494.71 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 86342263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).