N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide

C14H22N2O3S — CID 119438658

IUPACN-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
SMILESCCNCc1cccc(NC(=O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-3-15-11-12-6-4-7-13(10-12)16-14(17)8-5-9-20(2,18)19/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyXVTASOYTLUDPID-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.56
Rot. Bonds8

About N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide

N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide (PubChem CID 119438658) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
PubChem CID119438658
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
SMILESCCNCc1cccc(NC(=O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-3-15-11-12-6-4-7-13(10-12)16-14(17)8-5-9-20(2,18)19/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyXVTASOYTLUDPID-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438596
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
CID 119438414
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide (CID 119438658) is N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide is CCNCc1cccc(NC(=O)CCCS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide?
The InChIKey is XVTASOYTLUDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-15-11-12-6-4-7-13(10-12)16-14(17)8-5-9-20(2,18)19/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide?
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 119438658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).