N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C21H26N4O6S — CID 24660116

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H26N4O6S/c1-15-2-4-18(5-3-15)32(29,30)23-13-19(26)22-12-20(27)24-17-6-9-25(10-7-17)21(28)16-8-11-31-14-16/h2-5,8,11,14,17,23H,6-7,9-10,12-13H2,1H3,(H,22,26)(H,24,27)
InChIKeyBMLJKTWNDSTLJC-UHFFFAOYSA-N
MW462.53 g/mol
LogP0.40
Rot. Bonds8

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 24660116) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID24660116
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H26N4O6S/c1-15-2-4-18(5-3-15)32(29,30)23-13-19(26)22-12-20(27)24-17-6-9-25(10-7-17)21(28)16-8-11-31-14-16/h2-5,8,11,14,17,23H,6-7,9-10,12-13H2,1H3,(H,22,26)(H,24,27)
InChIKeyBMLJKTWNDSTLJC-UHFFFAOYSA-N
XLogP0.40
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide with MolForge

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Related Compounds

ethyl 4-[[2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 24554008
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24665941
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
4-chloro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521872
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 38208532
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 24660116) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is BMLJKTWNDSTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-15-2-4-18(5-3-15)32(29,30)23-13-19(26)22-12-20(27)24-17-6-9-25(10-7-17)21(28)16-8-11-31-14-16/h2-5,8,11,14,17,23H,6-7,9-10,12-13H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 462.53 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 24660116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).