N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C22H24N2O4S — CID 4165649

IUPACN-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)N(C)Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H24N2O4S/c1-17-10-12-19(13-11-17)29(26,27)23-20(21-9-6-14-28-21)15-22(25)24(2)16-18-7-4-3-5-8-18/h3-14,20,23H,15-16H2,1-2H3
InChIKeyOQXMWACEZAKUKI-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.66
Rot. Bonds8

About N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide

N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4165649) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4165649
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)N(C)Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H24N2O4S/c1-17-10-12-19(13-11-17)29(26,27)23-20(21-9-6-14-28-21)15-22(25)24(2)16-18-7-4-3-5-8-18/h3-14,20,23H,15-16H2,1-2H3
InChIKeyOQXMWACEZAKUKI-UHFFFAOYSA-N
XLogP3.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98230566
N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
(2R)-5-[benzyl(methyl)amino]-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-oxopentanoic acid
CID 67589142
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233239
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoate
CID 3651126
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 51899633
3-[(4-bromophenyl)sulfonylamino]-N-butan-2-yl-3-(furan-2-yl)propanamide
CID 4157844
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4165649) is N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(CC(=O)N(C)Cc2ccccc2)c2ccco2)cc1.
What is the InChIKey of N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is OQXMWACEZAKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-17-10-12-19(13-11-17)29(26,27)23-20(21-9-6-14-28-21)15-22(25)24(2)16-18-7-4-3-5-8-18/h3-14,20,23H,15-16H2,1-2H3.
What are the key properties of N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4165649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).