3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

C14H22N2O4S — CID 51078699

IUPAC3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10-5-6-13(20-3)12(9-10)11(2)16-14(17)7-8-15-21(4,18)19/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyJSITUDMXXMFSNW-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.12
Rot. Bonds7

About 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 51078699) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID51078699
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10-5-6-13(20-3)12(9-10)11(2)16-14(17)7-8-15-21(4,18)19/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyJSITUDMXXMFSNW-UHFFFAOYSA-N
XLogP1.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31972312
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 51078699) is 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is COc1ccc(C)cc1C(C)NC(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is JSITUDMXXMFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-5-6-13(20-3)12(9-10)11(2)16-14(17)7-8-15-21(4,18)19/h5-6,9,11,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 51078699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).