N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide

C20H18BrN3O4S2 — CID 15989546

IUPACN-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1
InChIInChI=1S/C20H18BrN3O4S2/c1-13(25)22-15-7-9-16(10-8-15)23-20(26)19(14-5-3-2-4-6-14)24-30(27,28)18-12-11-17(21)29-18/h2-12,19,24H,1H3,(H,22,25)(H,23,26)
InChIKeyFZUJDUKMVPOIFZ-UHFFFAOYSA-N
MW508.42 g/mol
LogP4.13
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide

N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide (PubChem CID 15989546) has the molecular formula C20H18BrN3O4S2 and a molecular weight of 508.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide
PubChem CID15989546
Molecular FormulaC20H18BrN3O4S2
Molecular Weight508.42 g/mol
Exact Mass506.99
IUPAC NameN-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1
InChIInChI=1S/C20H18BrN3O4S2/c1-13(25)22-15-7-9-16(10-8-15)23-20(26)19(14-5-3-2-4-6-14)24-30(27,28)18-12-11-17(21)29-18/h2-12,19,24H,1H3,(H,22,25)(H,23,26)
InChIKeyFZUJDUKMVPOIFZ-UHFFFAOYSA-N
XLogP4.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.42
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide (CID 15989546) is N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide is CC(=O)Nc1ccc(NC(=O)C(NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide?
The InChIKey is FZUJDUKMVPOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S2/c1-13(25)22-15-7-9-16(10-8-15)23-20(26)19(14-5-3-2-4-6-14)24-30(27,28)18-12-11-17(21)29-18/h2-12,19,24H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide?
N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide has a molecular weight of 508.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 15989546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).