N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide

C16H28N2O3S — CID 112503856

IUPACN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccc(OCC)cc1)N(C)C
InChIInChI=1S/C16H28N2O3S/c1-5-7-12-22(19,20)17-13-16(18(3)4)14-8-10-15(11-9-14)21-6-2/h8-11,16-17H,5-7,12-13H2,1-4H3
InChIKeyADAVGQYFGXUKRE-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.41
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide

N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide (PubChem CID 112503856) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
PubChem CID112503856
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccc(OCC)cc1)N(C)C
InChIInChI=1S/C16H28N2O3S/c1-5-7-12-22(19,20)17-13-16(18(3)4)14-8-10-15(11-9-14)21-6-2/h8-11,16-17H,5-7,12-13H2,1-4H3
InChIKeyADAVGQYFGXUKRE-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
6-chloro-N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110302702
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 112503851
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695251

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide (CID 112503856) is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(c1ccc(OCC)cc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide?
The InChIKey is ADAVGQYFGXUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-5-7-12-22(19,20)17-13-16(18(3)4)14-8-10-15(11-9-14)21-6-2/h8-11,16-17H,5-7,12-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide?
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 112503856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).