N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide

C19H26N2O3S — CID 51169603

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-24-18-10-12-19(13-11-18)25(22,23)20-15-17(21(2)3)14-16-8-6-5-7-9-16/h5-13,17,20H,4,14-15H2,1-3H3
InChIKeyXZGJBLBOCCCXBZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.54
Rot. Bonds9

About N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide

N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide (PubChem CID 51169603) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
PubChem CID51169603
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-24-18-10-12-19(13-11-18)25(22,23)20-15-17(21(2)3)14-16-8-6-5-7-9-16/h5-13,17,20H,4,14-15H2,1-3H3
InChIKeyXZGJBLBOCCCXBZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
CID 55353812
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 46403128
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
2-[[(4-ethoxyphenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65220960
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1-methylimidazole-4-sulfonamide
CID 134035705

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide (CID 51169603) is N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide?
The InChIKey is XZGJBLBOCCCXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-24-18-10-12-19(13-11-18)25(22,23)20-15-17(21(2)3)14-16-8-6-5-7-9-16/h5-13,17,20H,4,14-15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide?
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 51169603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).