N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 61454557

IUPACN-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(C)N)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-13-7-8-14(19-13)20(17,18)16-12-6-4-5-11(9-12)10(2)15/h4-10,16H,3,15H2,1-2H3
InChIKeyZOMQOOIVBMIWHN-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.13
Rot. Bonds5

About N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide

N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 61454557) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
PubChem CID61454557
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(C(C)N)c2)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-13-7-8-14(19-13)20(17,18)16-12-6-4-5-11(9-12)10(2)15/h4-10,16H,3,15H2,1-2H3
InChIKeyZOMQOOIVBMIWHN-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-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

5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 71890365
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide (CID 61454557) is N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(C(C)N)c2)s1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is ZOMQOOIVBMIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-13-7-8-14(19-13)20(17,18)16-12-6-4-5-11(9-12)10(2)15/h4-10,16H,3,15H2,1-2H3.
What are the key properties of N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide?
N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).