N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO2S2 — CID 2447570

IUPACN,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C14H17NO2S2/c1-11-6-7-12(2)14(9-11)19(16,17)15(3)10-13-5-4-8-18-13/h4-9H,10H2,1-3H3
InChIKeyNLZJBEGCRPLWHZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.19
Rot. Bonds4

About N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2447570) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2447570
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C14H17NO2S2/c1-11-6-7-12(2)14(9-11)19(16,17)15(3)10-13-5-4-8-18-13/h4-9H,10H2,1-3H3
InChIKeyNLZJBEGCRPLWHZ-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6461005
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
4-cyano-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519186
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
N-(4-methylbenzyl)-N'-(2-thienylmethyl)sulfamide
CID 1475434
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2447570) is N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccs2)c1.
What is the InChIKey of N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is NLZJBEGCRPLWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11-6-7-12(2)14(9-11)19(16,17)15(3)10-13-5-4-8-18-13/h4-9H,10H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 295.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2447570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).