2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C19H20N2O2S2 — CID 121166387

IUPAC2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2-c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O2S2/c1-13-10-14(2)19(15(3)11-13)25(22,23)21-12-16-6-4-8-20-18(16)17-7-5-9-24-17/h4-11,21H,12H2,1-3H3
InChIKeyYBEXOLQFFJMCTM-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.21
Rot. Bonds5

About 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121166387) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID121166387
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2-c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O2S2/c1-13-10-14(2)19(15(3)11-13)25(22,23)21-12-16-6-4-8-20-18(16)17-7-5-9-24-17/h4-11,21H,12H2,1-3H3
InChIKeyYBEXOLQFFJMCTM-UHFFFAOYSA-N
XLogP4.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 121166387) is 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cccnc2-c2cccs2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YBEXOLQFFJMCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-13-10-14(2)19(15(3)11-13)25(22,23)21-12-16-6-4-8-20-18(16)17-7-5-9-24-17/h4-11,21H,12H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 372.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121166387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).