5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide

C19H21N3O2S2 — CID 113011834

IUPAC5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(C)cc3)nc2)s1
InChIInChI=1S/C19H21N3O2S2/c1-3-17-9-11-19(25-17)26(23,24)22-16-8-10-18(21-13-16)20-12-15-6-4-14(2)5-7-15/h4-11,13,22H,3,12H2,1-2H3,(H,20,21)
InChIKeyFJUKXHUCDDDKKR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.43
Rot. Bonds7

About 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide

5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113011834) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113011834
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(C)cc3)nc2)s1
InChIInChI=1S/C19H21N3O2S2/c1-3-17-9-11-19(25-17)26(23,24)22-16-8-10-18(21-13-16)20-12-15-6-4-14(2)5-7-15/h4-11,13,22H,3,12H2,1-2H3,(H,20,21)
InChIKeyFJUKXHUCDDDKKR-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
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-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide (CID 113011834) is 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(C)cc3)nc2)s1.
What is the InChIKey of 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is FJUKXHUCDDDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-3-17-9-11-19(25-17)26(23,24)22-16-8-10-18(21-13-16)20-12-15-6-4-14(2)5-7-15/h4-11,13,22H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide?
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113011834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).