N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

C14H20N2O3S3 — CID 50835794

IUPACN-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C14H20N2O3S3/c1-4-19-7-5-6-15-22(17,18)13-8-12(21-11(13)3)14-16-10(2)9-20-14/h8-9,15H,4-7H2,1-3H3
InChIKeyICSVDYNRGMTBQO-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.19
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide

N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835794) has the molecular formula C14H20N2O3S3 and a molecular weight of 360.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835794
Molecular FormulaC14H20N2O3S3
Molecular Weight360.53 g/mol
Exact Mass360.06
IUPAC NameN-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C
InChIInChI=1S/C14H20N2O3S3/c1-4-19-7-5-6-15-22(17,18)13-8-12(21-11(13)3)14-16-10(2)9-20-14/h8-9,15H,4-7H2,1-3H3
InChIKeyICSVDYNRGMTBQO-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835794) is N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is CCOCCCNS(=O)(=O)c1cc(-c2nc(C)cs2)sc1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is ICSVDYNRGMTBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S3/c1-4-19-7-5-6-15-22(17,18)13-8-12(21-11(13)3)14-16-10(2)9-20-14/h8-9,15H,4-7H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 360.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).