4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C18H18N2O3S2 — CID 110222105

IUPAC4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccsc2)c2cccnc2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)20-18(11-14-8-10-24-13-14)15-3-2-9-19-12-15/h2-10,12-13,18,20H,11H2,1H3
InChIKeyHCIRPWXGXBJTFY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.41
Rot. Bonds7

About 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide

4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 110222105) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID110222105
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccsc2)c2cccnc2)cc1
InChIInChI=1S/C18H18N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)20-18(11-14-8-10-24-13-14)15-3-2-9-19-12-15/h2-10,12-13,18,20H,11H2,1H3
InChIKeyHCIRPWXGXBJTFY-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
methyl 4-[2-[(4-chlorophenyl)sulfonylamino]-2-pyridin-3-ylethyl]benzoate
CID 15232186
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
CID 92570534
cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 92610648
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 110222105) is 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(Cc2ccsc2)c2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is HCIRPWXGXBJTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-23-16-4-6-17(7-5-16)25(21,22)20-18(11-14-8-10-24-13-14)15-3-2-9-19-12-15/h2-10,12-13,18,20H,11H2,1H3.
What are the key properties of 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110222105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).