N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide

C19H21N3O2S2 — CID 4820068

IUPACN-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cccs2)nc1
InChIInChI=1S/C19H21N3O2S2/c1-3-22(16-8-5-4-6-9-16)26(23,24)18-11-12-19(20-14-18)21(2)15-17-10-7-13-25-17/h4-14H,3,15H2,1-2H3
InChIKeyZBVNBWSMQPVVHP-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide (PubChem CID 4820068) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide
PubChem CID4820068
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cccs2)nc1
InChIInChI=1S/C19H21N3O2S2/c1-3-22(16-8-5-4-6-9-16)26(23,24)18-11-12-19(20-14-18)21(2)15-17-10-7-13-25-17/h4-14H,3,15H2,1-2H3
InChIKeyZBVNBWSMQPVVHP-UHFFFAOYSA-N
XLogP3.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methapyrilene
CID 4098
Methapyrilene Hydrochloride
CID 8667
2-Thiophenesulfonamide, N-2-pyridinyl-
CID 778330
1-{2-[(4-Fluorophenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810612
[3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 3751260
N-(5-methylpyridin-2-yl)thiophene-2-sulfonamide
CID 4089541
N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 2998791
1-Methyl-4-[[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-3-pyridinyl]sulfonyl]piperazine
CID 4969678
N-[3-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethylsulfonyl]phenyl]-5-thiophen-3-ylpyridin-2-amine
CID 44527170
4-(Methyl(4-(5-methylthiophen-2-yl)pyrimidin-2-yl)amino)benzenesulfonamide
CID 44550927
N-[[5-(6-amino-3-pyridinyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665048
N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide
CID 66907450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide (CID 4820068) is N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2cccs2)nc1.
What is the InChIKey of N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide?
The InChIKey is ZBVNBWSMQPVVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-3-22(16-8-5-4-6-9-16)26(23,24)18-11-12-19(20-14-18)21(2)15-17-10-7-13-25-17/h4-14H,3,15H2,1-2H3.
What are the key properties of N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 4820068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).