4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

C18H19NO3S2 — CID 122264401

IUPAC4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19NO3S2/c1-13(2)14-5-8-16(9-6-14)24(20,21)19-12-15-7-10-17(22-15)18-4-3-11-23-18/h3-11,13,19H,12H2,1-2H3
InChIKeyKMROUQVZPSRUFH-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.61
Rot. Bonds6

About 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 122264401) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID122264401
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC Name4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19NO3S2/c1-13(2)14-5-8-16(9-6-14)24(20,21)19-12-15-7-10-17(22-15)18-4-3-11-23-18/h3-11,13,19H,12H2,1-2H3
InChIKeyKMROUQVZPSRUFH-UHFFFAOYSA-N
XLogP4.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (CID 122264401) is 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is KMROUQVZPSRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c1-13(2)14-5-8-16(9-6-14)24(20,21)19-12-15-7-10-17(22-15)18-4-3-11-23-18/h3-11,13,19H,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 361.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122264401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).