2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide

C11H17N3O4S — CID 81088623

IUPAC2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O4S/c1-18-7-10(12)11(15)13-8-4-3-5-9(6-8)14-19(2,16)17/h3-6,10,14H,7,12H2,1-2H3,(H,13,15)
InChIKeyXOOXSFYDFUBISN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.03
Rot. Bonds6

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

2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide (PubChem CID 81088623) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
PubChem CID81088623
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17N3O4S/c1-18-7-10(12)11(15)13-8-4-3-5-9(6-8)14-19(2,16)17/h3-6,10,14H,7,12H2,1-2H3,(H,13,15)
InChIKeyXOOXSFYDFUBISN-UHFFFAOYSA-N
XLogP-0.03
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-methoxypropanamide
CID 120985632
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120983933
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide (CID 81088623) is 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide is COCC(N)C(=O)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide?
The InChIKey is XOOXSFYDFUBISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-18-7-10(12)11(15)13-8-4-3-5-9(6-8)14-19(2,16)17/h3-6,10,14H,7,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide?
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide has a molecular weight of 287.34 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 81088623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).