N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide

C12H18N2O4S — CID 14099978

IUPACN-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C[C@@H](C)NC(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8(14-9(2)15)6-10-4-5-11(18-3)12(7-10)19(13,16)17/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1
InChIKeyKDHJIWMGQFZAOV-MRVPVSSYSA-N
MW286.35 g/mol
LogP0.41
Rot. Bonds5

About N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide

N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide (PubChem CID 14099978) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
PubChem CID14099978
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(C[C@@H](C)NC(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8(14-9(2)15)6-10-4-5-11(18-3)12(7-10)19(13,16)17/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1
InChIKeyKDHJIWMGQFZAOV-MRVPVSSYSA-N
XLogP0.41
TPSA98.49 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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 25268876
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide
CID 22837083
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide (CID 14099978) is N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide is COc1ccc(C[C@@H](C)NC(C)=O)cc1S(N)(=O)=O.
What is the InChIKey of N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The InChIKey is KDHJIWMGQFZAOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(14-9(2)15)6-10-4-5-11(18-3)12(7-10)19(13,16)17/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide has a molecular weight of 286.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 14099978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).