N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide

C14H18N2O2S2 — CID 63993060

IUPACN-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2sccc2C)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-9-19-14(10)11(2)16-12-4-6-13(7-5-12)20(17,18)15-3/h4-9,11,15-16H,1-3H3
InChIKeyHNEIBJFJWFYZCQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide

N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide (PubChem CID 63993060) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
PubChem CID63993060
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2sccc2C)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-9-19-14(10)11(2)16-12-4-6-13(7-5-12)20(17,18)15-3/h4-9,11,15-16H,1-3H3
InChIKeyHNEIBJFJWFYZCQ-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993026
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
ethyl 4-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991436
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844
N-[1-(3-methylthiophen-2-yl)ethyl]-4-piperidin-1-ylaniline
CID 63992461

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide (CID 63993060) is N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2sccc2C)cc1.
What is the InChIKey of N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is HNEIBJFJWFYZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-8-9-19-14(10)11(2)16-12-4-6-13(7-5-12)20(17,18)15-3/h4-9,11,15-16H,1-3H3.
What are the key properties of N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide?
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 63993060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).