3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

C24H28N4O3S — CID 167903850

IUPAC3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C24H28N4O3S/c29-23(25-16-20-9-6-14-32-20)18-7-4-8-19(15-18)27-24(30)26-17-21(22-10-5-13-31-22)28-11-2-1-3-12-28/h4-10,13-15,21H,1-3,11-12,16-17H2,(H,25,29)(H2,26,27,30)
InChIKeyWUCOMIPPFAOXMQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.62
Rot. Bonds8

About 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 167903850) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID167903850
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C24H28N4O3S/c29-23(25-16-20-9-6-14-32-20)18-7-4-8-19(15-18)27-24(30)26-17-21(22-10-5-13-31-22)28-11-2-1-3-12-28/h4-10,13-15,21H,1-3,11-12,16-17H2,(H,25,29)(H2,26,27,30)
InChIKeyWUCOMIPPFAOXMQ-UHFFFAOYSA-N
XLogP4.62
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 55648424
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 86988689
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 24982269
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4879008

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (CID 167903850) is 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCC(c1ccco1)N1CCCCC1)Nc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WUCOMIPPFAOXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-23(25-16-20-9-6-14-32-20)18-7-4-8-19(15-18)27-24(30)26-17-21(22-10-5-13-31-22)28-11-2-1-3-12-28/h4-10,13-15,21H,1-3,11-12,16-17H2,(H,25,29)(H2,26,27,30).
What are the key properties of 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 167903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).