N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine

C15H25ClN2O3S — CID 166311055

IUPACN-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine
SMILESCCN(C(C)C)S(=O)(=O)N(C)C(COC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O3S/c1-6-18(12(2)3)22(19,20)17(4)15(11-21-5)13-7-9-14(16)10-8-13/h7-10,12,15H,6,11H2,1-5H3
InChIKeyBLXNQKMRNBZJEW-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.93
Rot. Bonds8

About N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine

N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine (PubChem CID 166311055) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine
PubChem CID166311055
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine
SMILESCCN(C(C)C)S(=O)(=O)N(C)C(COC)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O3S/c1-6-18(12(2)3)22(19,20)17(4)15(11-21-5)13-7-9-14(16)10-8-13/h7-10,12,15H,6,11H2,1-5H3
InChIKeyBLXNQKMRNBZJEW-UHFFFAOYSA-N
XLogP2.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
CID 172615015
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
methyl 4-[[benzenesulfonyl-[(1S)-1-(4-chlorophenyl)propyl]amino]methyl]benzoate
CID 123906690
2-(bromomethyl)-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 107082189
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 47071943
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 67518773
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine (CID 166311055) is N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine is CCN(C(C)C)S(=O)(=O)N(C)C(COC)c1ccc(Cl)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine?
The InChIKey is BLXNQKMRNBZJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3S/c1-6-18(12(2)3)22(19,20)17(4)15(11-21-5)13-7-9-14(16)10-8-13/h7-10,12,15H,6,11H2,1-5H3.
What are the key properties of N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine?
N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine has a molecular weight of 348.90 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-2-methoxyethyl]-methylsulfamoyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 166311055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).