N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide

C13H18N2O2S3 — CID 16932760

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-4-5-13(19-10)20(16,17)14-8-12(15(2)3)11-6-7-18-9-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyAPJNIJNACMZVCR-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 16932760) has the molecular formula C13H18N2O2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
PubChem CID16932760
Molecular FormulaC13H18N2O2S3
Molecular Weight330.50 g/mol
Exact Mass330.05
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)s1
InChIInChI=1S/C13H18N2O2S3/c1-10-4-5-13(19-10)20(16,17)14-8-12(15(2)3)11-6-7-18-9-11/h4-7,9,12,14H,8H2,1-3H3
InChIKeyAPJNIJNACMZVCR-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-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-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
5-methyl-N-[2-[[(1R)-1-thiophen-3-ylethyl]amino]ethyl]thiophene-2-sulfonamide
CID 97104370
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 16932771
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-propan-2-ylbenzenesulfonamide
CID 40860865
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-phenylbenzenesulfonamide
CID 16932794
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 47031514
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide (CID 16932760) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccsc2)N(C)C)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is APJNIJNACMZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S3/c1-10-4-5-13(19-10)20(16,17)14-8-12(15(2)3)11-6-7-18-9-11/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16932760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).