N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C25H29N3O4S — CID 35049364

IUPACN-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-17-15-22(27-24(29)21-7-6-14-32-21)33-23(17)25(30)26-16-20(28-12-4-3-5-13-28)18-8-10-19(31-2)11-9-18/h6-11,14-15,20H,3-5,12-13,16H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyBTZRXTASNAPVAO-HXUWFJFHSA-N
MW467.59 g/mol
LogP4.87
Rot. Bonds8

About N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 35049364) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID35049364
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-17-15-22(27-24(29)21-7-6-14-32-21)33-23(17)25(30)26-16-20(28-12-4-3-5-13-28)18-8-10-19(31-2)11-9-18/h6-11,14-15,20H,3-5,12-13,16H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1
InChIKeyBTZRXTASNAPVAO-HXUWFJFHSA-N
XLogP4.87
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide;hydrochloride
CID 52984979
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43006599
N-[4-methyl-5-[[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34942302
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
4-(furan-2-carbonyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168767
N-[5-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 26011625
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
5-(2,2-dimethylpropanoylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylthiophene-2-carboxamide
CID 55522094
5-(furan-2-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 167763561
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 35049364) is N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is COc1ccc([C@@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)N2CCCCC2)cc1.
What is the InChIKey of N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is BTZRXTASNAPVAO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-17-15-22(27-24(29)21-7-6-14-32-21)33-23(17)25(30)26-16-20(28-12-4-3-5-13-28)18-8-10-19(31-2)11-9-18/h6-11,14-15,20H,3-5,12-13,16H2,1-2H3,(H,26,30)(H,27,29)/t20-/m1/s1.
What are the key properties of N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35049364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).