N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide

C19H25NO4S2 — CID 110416686

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cccs3)CCCCC2)cc1OC
InChIInChI=1S/C19H25NO4S2/c1-23-16-9-8-15(13-17(16)24-2)19(10-4-3-5-11-19)14-20-26(21,22)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyGAJQMJULKDUPBJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.95
Rot. Bonds7

About N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide

N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide (PubChem CID 110416686) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
PubChem CID110416686
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cccs3)CCCCC2)cc1OC
InChIInChI=1S/C19H25NO4S2/c1-23-16-9-8-15(13-17(16)24-2)19(10-4-3-5-11-19)14-20-26(21,22)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3
InChIKeyGAJQMJULKDUPBJ-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

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
N-[[1-(chloromethyl)cyclopentyl]methyl]thiophene-2-sulfonamide
CID 115365134
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide (CID 110416686) is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide is COc1ccc(C2(CNS(=O)(=O)c3cccs3)CCCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The InChIKey is GAJQMJULKDUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-23-16-9-8-15(13-17(16)24-2)19(10-4-3-5-11-19)14-20-26(21,22)18-7-6-12-25-18/h6-9,12-13,20H,3-5,10-11,14H2,1-2H3.
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide 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 N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110416686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).