N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide

C17H22N2O3S — CID 84596891

IUPACN-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
SMILESCCOc1cccc(NC(C)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N2O3S/c1-4-22-17-7-5-6-16(12-17)18-13(2)14-8-10-15(11-9-14)19-23(3,20)21/h5-13,18-19H,4H2,1-3H3
InChIKeyFPDPVJXORUBWBJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide

N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide (PubChem CID 84596891) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
PubChem CID84596891
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
SMILESCCOc1cccc(NC(C)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H22N2O3S/c1-4-22-17-7-5-6-16(12-17)18-13(2)14-8-10-15(11-9-14)19-23(3,20)21/h5-13,18-19H,4H2,1-3H3
InChIKeyFPDPVJXORUBWBJ-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
CID 84596568
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
3-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723469
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
1-[1-[4-(methanesulfonamido)phenyl]ethyl]-3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 166180053
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide (CID 84596891) is N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide is CCOc1cccc(NC(C)c2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide?
The InChIKey is FPDPVJXORUBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-22-17-7-5-6-16(12-17)18-13(2)14-8-10-15(11-9-14)19-23(3,20)21/h5-13,18-19H,4H2,1-3H3.
What are the key properties of N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide?
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 84596891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).