3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide

C12H19N3O3S — CID 43546334

IUPAC3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-8-7-14-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,15H,5-8,13H2,1H3,(H,14,16)
InChIKeyNTHKVMCNKMAWIE-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.13
Rot. Bonds7

About 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide

3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide (PubChem CID 43546334) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
PubChem CID43546334
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESCS(=O)(=O)NCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-8-7-14-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,15H,5-8,13H2,1H3,(H,14,16)
InChIKeyNTHKVMCNKMAWIE-UHFFFAOYSA-N
XLogP-0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79556235
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide (CID 43546334) is 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide is CS(=O)(=O)NCCNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The InChIKey is NTHKVMCNKMAWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)15-8-7-14-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,15H,5-8,13H2,1H3,(H,14,16).
What are the key properties of 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide is sourced from PubChem (CID 43546334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).