2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

C21H29NO2S2 — CID 30943321

IUPAC2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c1C
InChIInChI=1S/C21H29NO2S2/c1-15-13-16(2)18(4)20(17(15)3)26(23,24)22-14-21(10-6-5-7-11-21)19-9-8-12-25-19/h8-9,12-13,22H,5-7,10-11,14H2,1-4H3
InChIKeyGOJKDLHPAMPQOX-UHFFFAOYSA-N
MW391.60 g/mol
LogP5.16
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 30943321) has the molecular formula C21H29NO2S2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
PubChem CID30943321
Molecular FormulaC21H29NO2S2
Molecular Weight391.60 g/mol
Exact Mass391.16
IUPAC Name2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c1C
InChIInChI=1S/C21H29NO2S2/c1-15-13-16(2)18(4)20(17(15)3)26(23,24)22-14-21(10-6-5-7-11-21)19-9-8-12-25-19/h8-9,12-13,22H,5-7,10-11,14H2,1-4H3
InChIKeyGOJKDLHPAMPQOX-UHFFFAOYSA-N
XLogP5.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250
1-(4-chlorophenyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]methanesulfonamide
CID 30943309
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (CID 30943321) is 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is GOJKDLHPAMPQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2S2/c1-15-13-16(2)18(4)20(17(15)3)26(23,24)22-14-21(10-6-5-7-11-21)19-9-8-12-25-19/h8-9,12-13,22H,5-7,10-11,14H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 391.60 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30943321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).