N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide

C12H18N2O4S — CID 22837083

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

About N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide

N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide (PubChem CID 22837083) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide
PubChem CID22837083
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide
SMILESCOc1ccc(C[C@@H](C)N)cc1S(=O)(=O)NC(C)=O
InChIInChI=1S/C12H18N2O4S/c1-8(13)6-10-4-5-11(18-3)12(7-10)19(16,17)14-9(2)15/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyCDPYQDRCONWZIN-MRVPVSSYSA-N
XLogP0.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
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 ≤ 105

Analyze N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
(2S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]propanoic acid
CID 122069816
tert-butyl 2-amino-3-(3-fluorosulfonyl-4-methoxyphenyl)propanoate
CID 167725207
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide?
The IUPAC name of N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide (CID 22837083) is N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide.
What is the SMILES notation for N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide?
The canonical SMILES for N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide is COc1ccc(C[C@@H](C)N)cc1S(=O)(=O)NC(C)=O.
What is the InChIKey of N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide?
The InChIKey is CDPYQDRCONWZIN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(13)6-10-4-5-11(18-3)12(7-10)19(16,17)14-9(2)15/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide?
N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide has a molecular weight of 286.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfonylacetamide is sourced from PubChem (CID 22837083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).