N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

C22H28N2O4S — CID 24658411

IUPACN-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)C(C)C3CC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-5-13-21(14-6-16)29(26,27)24(4)19-9-11-20(12-10-19)28-15-22(25)23(3)17(2)18-7-8-18/h5-6,9-14,17-18H,7-8,15H2,1-4H3
InChIKeyFUCSCJLHGWHERF-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.46
Rot. Bonds8

About N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide

N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 24658411) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID24658411
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)C(C)C3CC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-5-13-21(14-6-16)29(26,27)24(4)19-9-11-20(12-10-19)28-15-22(25)23(3)17(2)18-7-8-18/h5-6,9-14,17-18H,7-8,15H2,1-4H3
InChIKeyFUCSCJLHGWHERF-UHFFFAOYSA-N
XLogP3.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N,4-dimethyl-N-[4-[2-[2-(2-methylpropanoyl)hydrazinyl]-2-oxoethoxy]phenyl]benzenesulfonamide
CID 24542946
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 17247239
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 32743662
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]acetic acid
CID 4839549
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide (CID 24658411) is N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)C(C)C3CC3)cc2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is FUCSCJLHGWHERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-5-13-21(14-6-16)29(26,27)24(4)19-9-11-20(12-10-19)28-15-22(25)23(3)17(2)18-7-8-18/h5-6,9-14,17-18H,7-8,15H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide?
N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 24658411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).