2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide

C22H24N2O4S — CID 9113169

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N2O4S/c1-3-18-10-7-9-17(2)22(18)23-21(25)16-24(15-19-11-8-14-28-19)29(26,27)20-12-5-4-6-13-20/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeySEBSMPLKMWEUHU-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.98
Rot. Bonds8

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9113169) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9113169
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24N2O4S/c1-3-18-10-7-9-17(2)22(18)23-21(25)16-24(15-19-11-8-14-28-19)29(26,27)20-12-5-4-6-13-20/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeySEBSMPLKMWEUHU-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 29282555
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233542
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095141
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2620856

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 9113169) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is SEBSMPLKMWEUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-3-18-10-7-9-17(2)22(18)23-21(25)16-24(15-19-11-8-14-28-19)29(26,27)20-12-5-4-6-13-20/h4-14H,3,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9113169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).