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

C20H28N2O4S — CID 4107619

IUPACN-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C20H28N2O4S/c1-4-22(5-2)12-11-21-20(23)19-10-9-18(26-19)15-27(24,25)14-17-8-6-7-16(3)13-17/h6-10,13H,4-5,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyGPJZNRAZWQJKFY-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.77
Rot. Bonds10

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

N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 4107619) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID4107619
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C20H28N2O4S/c1-4-22(5-2)12-11-21-20(23)19-10-9-18(26-19)15-27(24,25)14-17-8-6-7-16(3)13-17/h6-10,13H,4-5,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyGPJZNRAZWQJKFY-UHFFFAOYSA-N
XLogP2.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-ethoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 3241769
5-[(3-methylphenyl)methylsulfonylmethyl]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]furan-2-carboxamide
CID 4107780
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
CID 20968743
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
N-[2-(diethylamino)ethyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415635
N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859676
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
5-[(4-chlorophenyl)methylsulfonylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 4084510

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 4107619) is N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is GPJZNRAZWQJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-4-22(5-2)12-11-21-20(23)19-10-9-18(26-19)15-27(24,25)14-17-8-6-7-16(3)13-17/h6-10,13H,4-5,11-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 4107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).