N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

C17H22N2O5S — CID 100588449

IUPACN-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H22N2O5S/c1-19(25(21,22)16-9-7-14(23-2)8-10-16)13-17(20)18-11-3-5-15-6-4-12-24-15/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20)
InChIKeyUXRDWTBOTWIYAZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.66
Rot. Bonds9

About N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide

N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100588449) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID100588449
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC NameN-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C17H22N2O5S/c1-19(25(21,22)16-9-7-14(23-2)8-10-16)13-17(20)18-11-3-5-15-6-4-12-24-15/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20)
InChIKeyUXRDWTBOTWIYAZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100589399
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279122
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279273
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[3-(furan-2-yl)propyl]acetamide
CID 53283202
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
CID 110315806
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243544

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 100588449) is N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is UXRDWTBOTWIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-19(25(21,22)16-9-7-14(23-2)8-10-16)13-17(20)18-11-3-5-15-6-4-12-24-15/h4,6-10,12H,3,5,11,13H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100588449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).