N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C24H35N3O4S — CID 25161941

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C24H35N3O4S/c1-18(2)16-21(26-32(29,30)20-11-9-19(3)10-12-20)24(28)25-17-22(23-8-7-15-31-23)27-13-5-4-6-14-27/h7-12,15,18,21-22,26H,4-6,13-14,16-17H2,1-3H3,(H,25,28)
InChIKeyWOQHDLROTFOYQO-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.62
Rot. Bonds10

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 25161941) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID25161941
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C24H35N3O4S/c1-18(2)16-21(26-32(29,30)20-11-9-19(3)10-12-20)24(28)25-17-22(23-8-7-15-31-23)27-13-5-4-6-14-27/h7-12,15,18,21-22,26H,4-6,13-14,16-17H2,1-3H3,(H,25,28)
InChIKeyWOQHDLROTFOYQO-UHFFFAOYSA-N
XLogP3.62
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
CID 24624985
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 55941778
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 43005178
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 25161941) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is WOQHDLROTFOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-18(2)16-21(26-32(29,30)20-11-9-19(3)10-12-20)24(28)25-17-22(23-8-7-15-31-23)27-13-5-4-6-14-27/h7-12,15,18,21-22,26H,4-6,13-14,16-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 461.63 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 25161941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).