2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide

C12H19N3O5S — CID 120985632

IUPAC2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C12H19N3O5S/c1-19-7-9(13)12(16)14-8-4-5-10(11(6-8)20-2)15-21(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyGTPCDKRUBUKSBZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.02
Rot. Bonds7

About 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide

2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide (PubChem CID 120985632) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
PubChem CID120985632
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C12H19N3O5S/c1-19-7-9(13)12(16)14-8-4-5-10(11(6-8)20-2)15-21(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16)
InChIKeyGTPCDKRUBUKSBZ-UHFFFAOYSA-N
XLogP-0.02
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 47055132
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxypropanamide
CID 81081918
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide (CID 120985632) is 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide?
The InChIKey is GTPCDKRUBUKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-19-7-9(13)12(16)14-8-4-5-10(11(6-8)20-2)15-21(3,17)18/h4-6,9,15H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide?
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide has a molecular weight of 317.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide is sourced from PubChem (CID 120985632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).