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

C25H32N2O2S2 — CID 121177958

IUPAC2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccnc2-c2ccsc2)c(C(C)C)c1
InChIInChI=1S/C25H32N2O2S2/c1-16(2)21-12-22(17(3)4)25(23(13-21)18(5)6)31(28,29)27-14-19-8-7-10-26-24(19)20-9-11-30-15-20/h7-13,15-18,27H,14H2,1-6H3
InChIKeyZVEVHWMWMCKXDQ-UHFFFAOYSA-N
MW456.68 g/mol
LogP6.66
Rot. Bonds8

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

2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121177958) has the molecular formula C25H32N2O2S2 and a molecular weight of 456.68 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID121177958
Molecular FormulaC25H32N2O2S2
Molecular Weight456.68 g/mol
Exact Mass456.19
IUPAC Name2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccnc2-c2ccsc2)c(C(C)C)c1
InChIInChI=1S/C25H32N2O2S2/c1-16(2)21-12-22(17(3)4)25(23(13-21)18(5)6)31(28,29)27-14-19-8-7-10-26-24(19)20-9-11-30-15-20/h7-13,15-18,27H,14H2,1-6H3
InChIKeyZVEVHWMWMCKXDQ-UHFFFAOYSA-N
XLogP6.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
trans-(1S,2R)-N-methyl-1-pyridin-3-yl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide
CID 10047940
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
4-(3-Methylphenyl)-5-(2-methyl-4-pyridyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
4-[2-(4-Methanesulfonyl-phenyl)-4-m-tolyl-thiazol-5-yl]-pyridine
CID 11418329
3-(4-Methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 44326499
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062
N-Methyl-1-(1-{[3-(methylsulfonyl)phenyl]sulfonyl}-5-phenyl-1H-pyrrol-3-yl)methanamine hydrochloride
CID 57522145

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 121177958) is 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2cccnc2-c2ccsc2)c(C(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is ZVEVHWMWMCKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2S2/c1-16(2)21-12-22(17(3)4)25(23(13-21)18(5)6)31(28,29)27-14-19-8-7-10-26-24(19)20-9-11-30-15-20/h7-13,15-18,27H,14H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 456.68 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121177958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).