N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide

C21H21BrN2O5S — CID 17432908

IUPACN-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2Br)Cc2ccco2)cc1
InChIInChI=1S/C21H21BrN2O5S/c1-15-5-10-20(19(22)12-15)23-21(25)14-24(13-17-4-3-11-29-17)30(26,27)18-8-6-16(28-2)7-9-18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyDMJXDYIPIUENID-UHFFFAOYSA-N
MW493.38 g/mol
LogP4.19
Rot. Bonds8

About N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide

N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 17432908) has the molecular formula C21H21BrN2O5S and a molecular weight of 493.38 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID17432908
Molecular FormulaC21H21BrN2O5S
Molecular Weight493.38 g/mol
Exact Mass492.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2Br)Cc2ccco2)cc1
InChIInChI=1S/C21H21BrN2O5S/c1-15-5-10-20(19(22)12-15)23-21(25)14-24(13-17-4-3-11-29-17)30(26,27)18-8-6-16(28-2)7-9-18/h3-12H,13-14H2,1-2H3,(H,23,25)
InChIKeyDMJXDYIPIUENID-UHFFFAOYSA-N
XLogP4.19
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 29282555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide (CID 17432908) is N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2Br)Cc2ccco2)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is DMJXDYIPIUENID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O5S/c1-15-5-10-20(19(22)12-15)23-21(25)14-24(13-17-4-3-11-29-17)30(26,27)18-8-6-16(28-2)7-9-18/h3-12H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 493.38 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 17432908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).