4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

C14H18N2O3S2 — CID 61300193

IUPAC4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C14H18N2O3S2/c1-11-3-5-13(6-4-11)19-8-7-16(2)21(17,18)14-9-12(15)10-20-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyQUTNUNLVUWILAW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.34
Rot. Bonds6

About 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide

4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 61300193) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID61300193
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C14H18N2O3S2/c1-11-3-5-13(6-4-11)19-8-7-16(2)21(17,18)14-9-12(15)10-20-14/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyQUTNUNLVUWILAW-UHFFFAOYSA-N
XLogP2.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61074028
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
4-amino-N,N-bis(2-methoxyethyl)thiophene-2-sulfonamide
CID 61300165
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62003332
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide (CID 61300193) is 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is Cc1ccc(OCCN(C)S(=O)(=O)c2cc(N)cs2)cc1.
What is the InChIKey of 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is QUTNUNLVUWILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-11-3-5-13(6-4-11)19-8-7-16(2)21(17,18)14-9-12(15)10-20-14/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide?
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61300193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).