N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

C20H26N2O4S — CID 112997613

IUPACN-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-14-12-17(26-5)10-11-18(14)27(24,25)21-13-19(23)22-16-8-6-15(7-9-16)20(2,3)4/h6-12,21H,13H2,1-5H3,(H,22,23)
InChIKeyGHRJIHLMIATAGC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.22
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide

N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (PubChem CID 112997613) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
PubChem CID112997613
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-14-12-17(26-5)10-11-18(14)27(24,25)21-13-19(23)22-16-8-6-15(7-9-16)20(2,3)4/h6-12,21H,13H2,1-5H3,(H,22,23)
InChIKeyGHRJIHLMIATAGC-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-(3-acetylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999558
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 126840923
N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 110407309
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide (CID 112997613) is N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is GHRJIHLMIATAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-12-17(26-5)10-11-18(14)27(24,25)21-13-19(23)22-16-8-6-15(7-9-16)20(2,3)4/h6-12,21H,13H2,1-5H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide?
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).