4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 61299784

IUPAC4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)9-16(2)20(17,18)14-8-13(15)10-19-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyVTYORAWQSHNNDC-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.71
Rot. Bonds5

About 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide

4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61299784) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61299784
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)9-16(2)20(17,18)14-8-13(15)10-19-14/h4-8,10H,3,9,15H2,1-2H3
InChIKeyVTYORAWQSHNNDC-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61300920
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
4-amino-N-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61299968
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 112656690

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 61299784) is 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide is CCc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1.
What is the InChIKey of 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is VTYORAWQSHNNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-11-4-6-12(7-5-11)9-16(2)20(17,18)14-8-13(15)10-19-14/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide?
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61299784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).