N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide

C14H26N2O3S2 — CID 106086831

IUPACN-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OCC)c(C)s1
InChIInChI=1S/C14H26N2O3S2/c1-6-15-9-12-8-13(11(3)20-12)21(17,18)16-10-14(4,5)19-7-2/h8,15-16H,6-7,9-10H2,1-5H3
InChIKeyXZXDJJHTYAULKW-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.26
Rot. Bonds9

About N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide

N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106086831) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
PubChem CID106086831
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OCC)c(C)s1
InChIInChI=1S/C14H26N2O3S2/c1-6-15-9-12-8-13(11(3)20-12)21(17,18)16-10-14(4,5)19-7-2/h8,15-16H,6-7,9-10H2,1-5H3
InChIKeyXZXDJJHTYAULKW-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-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-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
5-(ethylaminomethyl)-2-methyl-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106093781
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106065891
5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106071112

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide (CID 106086831) is N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)(C)OCC)c(C)s1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is XZXDJJHTYAULKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-6-15-9-12-8-13(11(3)20-12)21(17,18)16-10-14(4,5)19-7-2/h8,15-16H,6-7,9-10H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106086831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).