N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

C13H19N3O3S2 — CID 106424030

IUPACN-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCc2ccno2)s1
InChIInChI=1S/C13H19N3O3S2/c1-2-7-14-8-6-12-3-4-13(20-12)21(17,18)16-10-11-5-9-15-19-11/h3-5,9,14,16H,2,6-8,10H2,1H3
InChIKeyILAXERWFFOGZOZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.76
Rot. Bonds9

About N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106424030) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106424030
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCc2ccno2)s1
InChIInChI=1S/C13H19N3O3S2/c1-2-7-14-8-6-12-3-4-13(20-12)21(17,18)16-10-11-5-9-15-19-11/h3-5,9,14,16H,2,6-8,10H2,1H3
InChIKeyILAXERWFFOGZOZ-UHFFFAOYSA-N
XLogP1.76
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1,2-oxazol-5-ylmethyl)thiophene-2-sulfonamide
CID 103940604
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 103466053
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (CID 106424030) is N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is CCCNCCc1ccc(S(=O)(=O)NCc2ccno2)s1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is ILAXERWFFOGZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-2-7-14-8-6-12-3-4-13(20-12)21(17,18)16-10-11-5-9-15-19-11/h3-5,9,14,16H,2,6-8,10H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106424030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).