4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

C17H21NO3S2 — CID 30530651

IUPAC4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CC2)cc1C
InChIInChI=1S/C17H21NO3S2/c1-12-9-14(10-13(2)16(12)21-3)23(19,20)18-11-17(6-7-17)15-5-4-8-22-15/h4-5,8-10,18H,6-7,11H2,1-3H3
InChIKeyDYQXBYINEFSYIB-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.38
Rot. Bonds6

About 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 30530651) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
PubChem CID30530651
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CC2)cc1C
InChIInChI=1S/C17H21NO3S2/c1-12-9-14(10-13(2)16(12)21-3)23(19,20)18-11-17(6-7-17)15-5-4-8-22-15/h4-5,8-10,18H,6-7,11H2,1-3H3
InChIKeyDYQXBYINEFSYIB-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
4-methoxy-2-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943293
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (CID 30530651) is 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is DYQXBYINEFSYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12-9-14(10-13(2)16(12)21-3)23(19,20)18-11-17(6-7-17)15-5-4-8-22-15/h4-5,8-10,18H,6-7,11H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30530651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).