2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide

C19H24N2O4S — CID 35545211

IUPAC2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1C
InChIInChI=1S/C19H24N2O4S/c1-11-12(2)14(4)19(15(5)13(11)3)26(23,24)21-16-6-8-17(9-7-16)25-10-18(20)22/h6-9,21H,10H2,1-5H3,(H2,20,22)
InChIKeyPCAFANZRBDKASF-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide

2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide (PubChem CID 35545211) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
PubChem CID35545211
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1C
InChIInChI=1S/C19H24N2O4S/c1-11-12(2)14(4)19(15(5)13(11)3)26(23,24)21-16-6-8-17(9-7-16)25-10-18(20)22/h6-9,21H,10H2,1-5H3,(H2,20,22)
InChIKeyPCAFANZRBDKASF-UHFFFAOYSA-N
XLogP2.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]acetamide
CID 35541901
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenoxy]acetamide
CID 25334983
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
4-[2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 87541673
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide (CID 35545211) is 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c(C)c1C.
What is the InChIKey of 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is PCAFANZRBDKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-11-12(2)14(4)19(15(5)13(11)3)26(23,24)21-16-6-8-17(9-7-16)25-10-18(20)22/h6-9,21H,10H2,1-5H3,(H2,20,22).
What are the key properties of 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide?
2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 35545211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).