N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide

C14H18N2O2S2 — CID 106911287

IUPACN-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCNCc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-15-10-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h4-9,15-16H,3,10H2,1-2H3
InChIKeyCUXIBLPGEVHVMS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.97
Rot. Bonds6

About N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide

N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 106911287) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID106911287
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCNCc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-15-10-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h4-9,15-16H,3,10H2,1-2H3
InChIKeyCUXIBLPGEVHVMS-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122324368
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide (CID 106911287) is N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide is CCNCc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1.
What is the InChIKey of N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is CUXIBLPGEVHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-15-10-12-5-7-13(8-6-12)16-20(17,18)14-9-4-11(2)19-14/h4-9,15-16H,3,10H2,1-2H3.
What are the key properties of N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide?
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106911287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).