N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C21H25NO3S2 — CID 90583348

IUPACN-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c1C
InChIInChI=1S/C21H25NO3S2/c1-15-12-16(2)18(4)21(17(15)3)27(23,24)22(13-19-8-10-25-14-19)9-7-20-6-5-11-26-20/h5-6,8,10-12,14H,7,9,13H2,1-4H3
InChIKeyUMPLZJQBYDZAQF-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.01
Rot. Bonds7

About N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90583348) has the molecular formula C21H25NO3S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90583348
Molecular FormulaC21H25NO3S2
Molecular Weight403.57 g/mol
Exact Mass403.13
IUPAC NameN-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c1C
InChIInChI=1S/C21H25NO3S2/c1-15-12-16(2)18(4)21(17(15)3)27(23,24)22(13-19-8-10-25-14-19)9-7-20-6-5-11-26-20/h5-6,8,10-12,14H,7,9,13H2,1-4H3
InChIKeyUMPLZJQBYDZAQF-UHFFFAOYSA-N
XLogP5.01
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
CID 90583373
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331
methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
CID 72717975
N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90583057
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 72717976
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
N-benzyl-N-(2-cyanoethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23853525
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide
CID 61151068
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90583348) is N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c1C.
What is the InChIKey of N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UMPLZJQBYDZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S2/c1-15-12-16(2)18(4)21(17(15)3)27(23,24)22(13-19-8-10-25-14-19)9-7-20-6-5-11-26-20/h5-6,8,10-12,14H,7,9,13H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 403.57 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90583348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).