N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide

C14H22N2O3S — CID 115587023

IUPACN-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-16(20(3,18)19)11-5-10-15-14-8-6-13(7-9-14)12(2)17/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyWJEAMWNZCHRBOB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.97
Rot. Bonds8

About N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide

N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide (PubChem CID 115587023) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide
PubChem CID115587023
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-16(20(3,18)19)11-5-10-15-14-8-6-13(7-9-14)12(2)17/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyWJEAMWNZCHRBOB-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide (CID 115587023) is N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1ccc(C(C)=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide?
The InChIKey is WJEAMWNZCHRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-16(20(3,18)19)11-5-10-15-14-8-6-13(7-9-14)12(2)17/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide?
N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 115587023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).