N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C23H22N2O3S — CID 38214359

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C23H22N2O3S/c26-22(20-13-16-6-5-15-3-1-2-4-19(15)21(16)29-20)24-18-7-10-25(11-8-18)23(27)17-9-12-28-14-17/h1-4,9,12-14,18H,5-8,10-11H2,(H,24,26)
InChIKeyMHRWYVXXCCDZNK-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.14
Rot. Bonds3

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 38214359) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID38214359
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C23H22N2O3S/c26-22(20-13-16-6-5-15-3-1-2-4-19(15)21(16)29-20)24-18-7-10-25(11-8-18)23(27)17-9-12-28-14-17/h1-4,9,12-14,18H,5-8,10-11H2,(H,24,26)
InChIKeyMHRWYVXXCCDZNK-UHFFFAOYSA-N
XLogP4.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-N-phenylpiperidine-1-carboxamide
CID 134042293
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride
CID 119475848
4,5-dihydrobenzo[g][1]benzothiol-2-yl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561069
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 46533370
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 2826309
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 38214359) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2c(s1)-c1ccccc1CC2.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is MHRWYVXXCCDZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-22(20-13-16-6-5-15-3-1-2-4-19(15)21(16)29-20)24-18-7-10-25(11-8-18)23(27)17-9-12-28-14-17/h1-4,9,12-14,18H,5-8,10-11H2,(H,24,26).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 38214359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).