N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide

C19H21N3O2S2 — CID 113017331

IUPACN-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)s1
InChIInChI=1S/C19H21N3O2S2/c1-4-16-9-11-19(25-16)26(23,24)22-15-8-10-18(20-12-15)21-17-7-5-6-13(2)14(17)3/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyKNCBRBLANQZFRI-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.87
Rot. Bonds6

About N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113017331) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
PubChem CID113017331
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)s1
InChIInChI=1S/C19H21N3O2S2/c1-4-16-9-11-19(25-16)26(23,24)22-15-8-10-18(20-12-15)21-17-7-5-6-13(2)14(17)3/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyKNCBRBLANQZFRI-UHFFFAOYSA-N
XLogP4.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(2-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987399
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(5-amino-4-methyl-2-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 61454347
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide (CID 113017331) is N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3C)nc2)s1.
What is the InChIKey of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is KNCBRBLANQZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-4-16-9-11-19(25-16)26(23,24)22-15-8-10-18(20-12-15)21-17-7-5-6-13(2)14(17)3/h5-12,22H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide?
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113017331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).