4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

C16H18N2O2S4 — CID 50839083

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1)c1cccs1
InChIInChI=1S/C16H18N2O2S4/c1-4-13(14-6-5-7-21-14)18-24(19,20)15-8-12(9-22-15)16-17-10(2)11(3)23-16/h5-9,13,18H,4H2,1-3H3
InChIKeyMERYNBCOTRACBU-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.98
Rot. Bonds6

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (PubChem CID 50839083) has the molecular formula C16H18N2O2S4 and a molecular weight of 398.60 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
PubChem CID50839083
Molecular FormulaC16H18N2O2S4
Molecular Weight398.60 g/mol
Exact Mass398.03
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1)c1cccs1
InChIInChI=1S/C16H18N2O2S4/c1-4-13(14-6-5-7-21-14)18-24(19,20)15-8-12(9-22-15)16-17-10(2)11(3)23-16/h5-9,13,18H,4H2,1-3H3
InChIKeyMERYNBCOTRACBU-UHFFFAOYSA-N
XLogP4.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (CID 50839083) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1)c1cccs1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is MERYNBCOTRACBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S4/c1-4-13(14-6-5-7-21-14)18-24(19,20)15-8-12(9-22-15)16-17-10(2)11(3)23-16/h5-9,13,18H,4H2,1-3H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 398.60 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).