N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H23NO3S3 — CID 121133913

IUPACN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(O)c3ccsc3)s2)c1C
InChIInChI=1S/C20H23NO3S3/c1-12-9-13(2)15(4)20(14(12)3)27(23,24)21-10-17-5-6-18(26-17)19(22)16-7-8-25-11-16/h5-9,11,19,21-22H,10H2,1-4H3
InChIKeyRBJULSNWYLPPAI-UHFFFAOYSA-N
MW421.61 g/mol
LogP4.60
Rot. Bonds6

About N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 121133913) has the molecular formula C20H23NO3S3 and a molecular weight of 421.61 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID121133913
Molecular FormulaC20H23NO3S3
Molecular Weight421.61 g/mol
Exact Mass421.08
IUPAC NameN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(O)c3ccsc3)s2)c1C
InChIInChI=1S/C20H23NO3S3/c1-12-9-13(2)15(4)20(14(12)3)27(23,24)21-10-17-5-6-18(26-17)19(22)16-7-8-25-11-16/h5-9,11,19,21-22H,10H2,1-4H3
InChIKeyRBJULSNWYLPPAI-UHFFFAOYSA-N
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide with MolForge

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 99882730
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
CID 121133907
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
CID 121133865
N'-(3,5-dimethylphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121133966
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 121131813
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 121133957
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 121133913) is N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(O)c3ccsc3)s2)c1C.
What is the InChIKey of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is RBJULSNWYLPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S3/c1-12-9-13(2)15(4)20(14(12)3)27(23,24)21-10-17-5-6-18(26-17)19(22)16-7-8-25-11-16/h5-9,11,19,21-22H,10H2,1-4H3.
What are the key properties of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 421.61 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 121133913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).