N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide

C18H19N3O2S2 — CID 113026460

IUPACN-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)s1
InChIInChI=1S/C18H19N3O2S2/c1-2-16-9-11-18(24-16)25(22,23)21-17-10-8-15(13-20-17)19-12-14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3,(H,20,21)
InChIKeyMQQYGPPBRUZTKB-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.12
Rot. Bonds7

About N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide

N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113026460) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
PubChem CID113026460
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)s1
InChIInChI=1S/C18H19N3O2S2/c1-2-16-9-11-18(24-16)25(22,23)21-17-10-8-15(13-20-17)19-12-14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3,(H,20,21)
InChIKeyMQQYGPPBRUZTKB-UHFFFAOYSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113026445
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113017331
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
N-(5-amino-4-methyl-2-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 61454347
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide (CID 113026460) is N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)s1.
What is the InChIKey of N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is MQQYGPPBRUZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-16-9-11-18(24-16)25(22,23)21-17-10-8-15(13-20-17)19-12-14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3,(H,20,21).
What are the key properties of N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide?
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113026460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).