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

C19H25NO4S2 — CID 30944380

IUPAC4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1C
InChIInChI=1S/C19H25NO4S2/c1-14-11-16(12-15(2)18(14)23-3)26(21,22)20-13-19(6-8-24-9-7-19)17-5-4-10-25-17/h4-5,10-12,20H,6-9,13H2,1-3H3
InChIKeyXKNMARHGZCBHNT-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.40
Rot. Bonds6

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

4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 30944380) has the molecular formula C19H25NO4S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
PubChem CID30944380
Molecular FormulaC19H25NO4S2
Molecular Weight395.55 g/mol
Exact Mass395.12
IUPAC Name4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1C
InChIInChI=1S/C19H25NO4S2/c1-14-11-16(12-15(2)18(14)23-3)26(21,22)20-13-19(6-8-24-9-7-19)17-5-4-10-25-17/h4-5,10-12,20H,6-9,13H2,1-3H3
InChIKeyXKNMARHGZCBHNT-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
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
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944278
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 30944322
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
2,3,5,6-tetramethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943321
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (CID 30944380) is 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is XKNMARHGZCBHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S2/c1-14-11-16(12-15(2)18(14)23-3)26(21,22)20-13-19(6-8-24-9-7-19)17-5-4-10-25-17/h4-5,10-12,20H,6-9,13H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 395.55 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 30944380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).