N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide

C17H20N2O4S — CID 26965582

IUPACN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12(2)17(20)18-13-4-6-14(7-5-13)19-24(21,22)16-10-8-15(23-3)9-11-16/h4-12,19H,1-3H3,(H,18,20)
InChIKeyNFYUSWVEEBRHNM-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.09
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 26965582) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID26965582
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-12(2)17(20)18-13-4-6-14(7-5-13)19-24(21,22)16-10-8-15(23-3)9-11-16/h4-12,19H,1-3H3,(H,18,20)
InChIKeyNFYUSWVEEBRHNM-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42966975
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42977439
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 2222071

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide (CID 26965582) is N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide is COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is NFYUSWVEEBRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12(2)17(20)18-13-4-6-14(7-5-13)19-24(21,22)16-10-8-15(23-3)9-11-16/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 348.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 26965582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).