N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide

C12H18N2O4S — CID 62998731

IUPACN-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C12H18N2O4S/c1-8(2)19(16,17)14-11-7-10(13-9(3)15)5-6-12(11)18-4/h5-8,14H,1-4H3,(H,13,15)
InChIKeyLKIDBYNVDWBRPC-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.80
Rot. Bonds5

About N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide

N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 62998731) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
PubChem CID62998731
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C12H18N2O4S/c1-8(2)19(16,17)14-11-7-10(13-9(3)15)5-6-12(11)18-4/h5-8,14H,1-4H3,(H,13,15)
InChIKeyLKIDBYNVDWBRPC-UHFFFAOYSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide (CID 62998731) is N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is LKIDBYNVDWBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)19(16,17)14-11-7-10(13-9(3)15)5-6-12(11)18-4/h5-8,14H,1-4H3,(H,13,15).
What are the key properties of N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide?
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 62998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).