1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide

C14H24N2O3S — CID 106087679

IUPAC1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-12(2)20(17,18)16-9-8-13-6-5-7-14(10-13)19-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3
InChIKeyNKGBRAMRTUFXRN-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.16
Rot. Bonds9

About 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide

1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide (PubChem CID 106087679) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
PubChem CID106087679
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-12(2)20(17,18)16-9-8-13-6-5-7-14(10-13)19-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3
InChIKeyNKGBRAMRTUFXRN-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
1-methoxy-3-propylbenzene
CID 14270128
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 107852085
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide (CID 106087679) is 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide?
The InChIKey is NKGBRAMRTUFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-11-12(2)20(17,18)16-9-8-13-6-5-7-14(10-13)19-3/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide?
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106087679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).