N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide

C20H25N3O2S2 — CID 66907450

IUPACN-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide
SMILESCCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1cccnc1N(C)C
InChIInChI=1S/C20H25N3O2S2/c1-5-6-14-23(20-15(2)16-10-7-8-11-17(16)26-20)27(24,25)18-12-9-13-21-19(18)22(3)4/h7-13H,5-6,14H2,1-4H3
InChIKeyMDRMIBJGEQIPLR-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.67
Rot. Bonds7

About N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide

N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide (PubChem CID 66907450) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide
PubChem CID66907450
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide
SMILESCCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1cccnc1N(C)C
InChIInChI=1S/C20H25N3O2S2/c1-5-6-14-23(20-15(2)16-10-7-8-11-17(16)26-20)27(24,25)18-12-9-13-21-19(18)22(3)4/h7-13H,5-6,14H2,1-4H3
InChIKeyMDRMIBJGEQIPLR-UHFFFAOYSA-N
XLogP4.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide (CID 66907450) is N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide is CCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1cccnc1N(C)C.
What is the InChIKey of N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide?
The InChIKey is MDRMIBJGEQIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-5-6-14-23(20-15(2)16-10-7-8-11-17(16)26-20)27(24,25)18-12-9-13-21-19(18)22(3)4/h7-13H,5-6,14H2,1-4H3.
What are the key properties of N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide?
N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide has a molecular weight of 403.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66907450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).