N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C20H17BrN2O3S2 — CID 98862254

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O3S2/c21-17-12-19(27-14-17)13-22-20(24)16-6-8-18(9-7-16)23-28(25,26)11-10-15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,22,24)/b11-10+
InChIKeyLRONZBXLJIKJAP-ZHACJKMWSA-N
MW477.41 g/mol
LogP4.85
Rot. Bonds7

About N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 98862254) has the molecular formula C20H17BrN2O3S2 and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID98862254
Molecular FormulaC20H17BrN2O3S2
Molecular Weight477.41 g/mol
Exact Mass475.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17BrN2O3S2/c21-17-12-19(27-14-17)13-22-20(24)16-6-8-18(9-7-16)23-28(25,26)11-10-15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,22,24)/b11-10+
InChIKeyLRONZBXLJIKJAP-ZHACJKMWSA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 98862254) is N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is O=C(NCc1cc(Br)cs1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is LRONZBXLJIKJAP-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17BrN2O3S2/c21-17-12-19(27-14-17)13-22-20(24)16-6-8-18(9-7-16)23-28(25,26)11-10-15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,22,24)/b11-10+.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 477.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 98862254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).