2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide

C20H21NO3S3 — CID 121131813

IUPAC2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c1C
InChIInChI=1S/C20H21NO3S3/c1-12-10-13(2)15(4)20(14(12)3)27(23,24)21-11-16-7-8-18(26-16)19(22)17-6-5-9-25-17/h5-10,21H,11H2,1-4H3
InChIKeyOOHVXNHZMNRRCP-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.75
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 121131813) has the molecular formula C20H21NO3S3 and a molecular weight of 419.59 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID121131813
Molecular FormulaC20H21NO3S3
Molecular Weight419.59 g/mol
Exact Mass419.07
IUPAC Name2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c1C
InChIInChI=1S/C20H21NO3S3/c1-12-10-13(2)15(4)20(14(12)3)27(23,24)21-11-16-7-8-18(26-16)19(22)17-6-5-9-25-17/h5-10,21H,11H2,1-4H3
InChIKeyOOHVXNHZMNRRCP-UHFFFAOYSA-N
XLogP4.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121131782
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 71803384
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 121131813) is 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is OOHVXNHZMNRRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S3/c1-12-10-13(2)15(4)20(14(12)3)27(23,24)21-11-16-7-8-18(26-16)19(22)17-6-5-9-25-17/h5-10,21H,11H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 419.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121131813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).