N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide

C16H20N2O4S — CID 71917036

IUPACN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCc2ccco2)cc1N(C)C
InChIInChI=1S/C16H20N2O4S/c1-12-6-8-14(11-15(12)18(2)3)23(20,21)17-16(19)9-7-13-5-4-10-22-13/h4-6,8,10-11H,7,9H2,1-3H3,(H,17,19)
InChIKeyNOKXYOKPRCXXEY-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.09
Rot. Bonds6

About N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide

N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide (PubChem CID 71917036) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide
PubChem CID71917036
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCc2ccco2)cc1N(C)C
InChIInChI=1S/C16H20N2O4S/c1-12-6-8-14(11-15(12)18(2)3)23(20,21)17-16(19)9-7-13-5-4-10-22-13/h4-6,8,10-11H,7,9H2,1-3H3,(H,17,19)
InChIKeyNOKXYOKPRCXXEY-UHFFFAOYSA-N
XLogP2.09
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide (CID 71917036) is N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide is Cc1ccc(S(=O)(=O)NC(=O)CCc2ccco2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide?
The InChIKey is NOKXYOKPRCXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-6-8-14(11-15(12)18(2)3)23(20,21)17-16(19)9-7-13-5-4-10-22-13/h4-6,8,10-11H,7,9H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide?
N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide is sourced from PubChem (CID 71917036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).