2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

C18H24N2O4S — CID 86920765

IUPAC2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C18H24N2O4S/c1-12-6-8-16(10-13(12)2)25(22,23)20(5)11-18(21)19-15(4)17-9-7-14(3)24-17/h6-10,15H,11H2,1-5H3,(H,19,21)
InChIKeyHWLSXTXPCUMPMK-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.70
Rot. Bonds6

About 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 86920765) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID86920765
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)o1
InChIInChI=1S/C18H24N2O4S/c1-12-6-8-16(10-13(12)2)25(22,23)20(5)11-18(21)19-15(4)17-9-7-14(3)24-17/h6-10,15H,11H2,1-5H3,(H,19,21)
InChIKeyHWLSXTXPCUMPMK-UHFFFAOYSA-N
XLogP2.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55537196
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 26003447
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401323
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401362
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484
2-chloro-5-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187743
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133184574
4-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46680020

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (CID 86920765) is 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)o1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is HWLSXTXPCUMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12-6-8-16(10-13(12)2)25(22,23)20(5)11-18(21)19-15(4)17-9-7-14(3)24-17/h6-10,15H,11H2,1-5H3,(H,19,21).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 86920765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).