2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

C19H25NO4S2 — CID 30943344

IUPAC2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(OC)c1
InChIInChI=1S/C19H25NO4S2/c1-23-15-8-9-17(16(13-15)24-2)26(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyDGRGQXKQUGOSEM-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.95
Rot. Bonds7

About 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide

2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 30943344) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
PubChem CID30943344
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(OC)c1
InChIInChI=1S/C19H25NO4S2/c1-23-15-8-9-17(16(13-15)24-2)26(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyDGRGQXKQUGOSEM-UHFFFAOYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide (CID 30943344) is 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCCC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is DGRGQXKQUGOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-23-15-8-9-17(16(13-15)24-2)26(21,22)20-14-19(10-4-3-5-11-19)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30943344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).