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

C12H16N2O4S2 — CID 46393004

IUPACN-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(-c2ccno2)cs1
InChIInChI=1S/C12H16N2O4S2/c1-2-17-7-3-5-14-20(15,16)12-8-10(9-19-12)11-4-6-13-18-11/h4,6,8-9,14H,2-3,5,7H2,1H3
InChIKeyNUBXOBJDOUXHTM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.11
Rot. Bonds8

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

N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 46393004) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID46393004
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC NameN-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(-c2ccno2)cs1
InChIInChI=1S/C12H16N2O4S2/c1-2-17-7-3-5-14-20(15,16)12-8-10(9-19-12)11-4-6-13-18-11/h4,6,8-9,14H,2-3,5,7H2,1H3
InChIKeyNUBXOBJDOUXHTM-UHFFFAOYSA-N
XLogP2.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.11
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)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 46393004) is N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is CCOCCCNS(=O)(=O)c1cc(-c2ccno2)cs1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is NUBXOBJDOUXHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-2-17-7-3-5-14-20(15,16)12-8-10(9-19-12)11-4-6-13-18-11/h4,6,8-9,14H,2-3,5,7H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46393004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).