N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

C15H20N2O4S3 — CID 113068957

IUPACN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(N(CCNS(=O)(=O)c2cccs2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H20N2O4S3/c1-12-6-7-14(11-13(12)2)17(23(3,18)19)9-8-16-24(20,21)15-5-4-10-22-15/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyZRQQKGHKPIDCCV-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (PubChem CID 113068957) has the molecular formula C15H20N2O4S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
PubChem CID113068957
Molecular FormulaC15H20N2O4S3
Molecular Weight388.54 g/mol
Exact Mass388.06
IUPAC NameN-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(N(CCNS(=O)(=O)c2cccs2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H20N2O4S3/c1-12-6-7-14(11-13(12)2)17(23(3,18)19)9-8-16-24(20,21)15-5-4-10-22-15/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyZRQQKGHKPIDCCV-UHFFFAOYSA-N
XLogP2.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113069717
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
CID 113066996
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113060196
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-pentylthiophene-2-sulfonamide
CID 5150701

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (CID 113068957) is N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is Cc1ccc(N(CCNS(=O)(=O)c2cccs2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZRQQKGHKPIDCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S3/c1-12-6-7-14(11-13(12)2)17(23(3,18)19)9-8-16-24(20,21)15-5-4-10-22-15/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113068957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).