N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

C19H25NO5S — CID 3241769

IUPACN-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C19H25NO5S/c1-3-24-11-5-10-20-19(21)18-9-8-17(25-18)14-26(22,23)13-16-7-4-6-15(2)12-16/h4,6-9,12H,3,5,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyMFENPWNBLWTGAA-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.86
Rot. Bonds10

About N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 3241769) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID3241769
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C19H25NO5S/c1-3-24-11-5-10-20-19(21)18-9-8-17(25-18)14-26(22,23)13-16-7-4-6-15(2)12-16/h4,6-9,12H,3,5,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyMFENPWNBLWTGAA-UHFFFAOYSA-N
XLogP2.86
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.86
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-butyl-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107785
diethyl-[3-[[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carbonyl]amino]propyl]azanium
CID 4107788
N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107619
5-[(3-methylphenyl)methylsulfonylmethyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]furan-2-carboxamide
CID 4107780
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
CID 20968743
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 3241769) is N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is MFENPWNBLWTGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-3-24-11-5-10-20-19(21)18-9-8-17(25-18)14-26(22,23)13-16-7-4-6-15(2)12-16/h4,6-9,12H,3,5,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3241769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).