N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide

C20H24N2O4S — CID 113095161

IUPACN-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(c2ccc(NC(C)=O)cc2)C2CC2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-13-12-20(14(2)11-19(13)26-4)27(24,25)22(18-9-10-18)17-7-5-16(6-8-17)21-15(3)23/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,23)
InChIKeyCOOIIKYRTJUMGE-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.63
Rot. Bonds6

About N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide

N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 113095161) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID113095161
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(c2ccc(NC(C)=O)cc2)C2CC2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-13-12-20(14(2)11-19(13)26-4)27(24,25)22(18-9-10-18)17-7-5-16(6-8-17)21-15(3)23/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,23)
InChIKeyCOOIIKYRTJUMGE-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclopropyl-(4-fluoro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113095149
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
N-[4-[cyclopropyl-(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113095178
N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
CID 113095248
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-(dimethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 162727666
N-(4-acetamidophenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768014
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-(4-chlorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 112997944

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide (CID 113095161) is N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide is COc1cc(C)c(S(=O)(=O)N(c2ccc(NC(C)=O)cc2)C2CC2)cc1C.
What is the InChIKey of N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is COOIIKYRTJUMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-12-20(14(2)11-19(13)26-4)27(24,25)22(18-9-10-18)17-7-5-16(6-8-17)21-15(3)23/h5-8,11-12,18H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide?
N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 113095161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).