3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide

C11H17N3O3S — CID 43710308

IUPAC3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8-7-9(13-11(15)5-6-12)3-4-10(8)14-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyJTUQIYWNEBHAPR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.65
Rot. Bonds5

About 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide (PubChem CID 43710308) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
PubChem CID43710308
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
SMILESCc1cc(NC(=O)CCN)ccc1NS(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8-7-9(13-11(15)5-6-12)3-4-10(8)14-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyJTUQIYWNEBHAPR-UHFFFAOYSA-N
XLogP0.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)propanamide
CID 47028344
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide?
The IUPAC name of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide (CID 43710308) is 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide is Cc1cc(NC(=O)CCN)ccc1NS(C)(=O)=O.
What is the InChIKey of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide?
The InChIKey is JTUQIYWNEBHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-7-9(13-11(15)5-6-12)3-4-10(8)14-18(2,16)17/h3-4,7,14H,5-6,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide?
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide is sourced from PubChem (CID 43710308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).