N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C20H23N3O4S — CID 2546747

IUPACN-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(28(26,27)14-13-17-7-5-4-6-8-17)15-20(25)22-19-11-9-18(10-12-19)21-16(2)24/h4-14H,3,15H2,1-2H3,(H,21,24)(H,22,25)/b14-13+
InChIKeyBIAWUOWXCKMKAK-BUHFOSPRSA-N
MW401.49 g/mol
LogP2.91
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 2546747) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID2546747
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(28(26,27)14-13-17-7-5-4-6-8-17)15-20(25)22-19-11-9-18(10-12-19)21-16(2)24/h4-14H,3,15H2,1-2H3,(H,21,24)(H,22,25)/b14-13+
InChIKeyBIAWUOWXCKMKAK-BUHFOSPRSA-N
XLogP2.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 2546747) is N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is BIAWUOWXCKMKAK-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-23(28(26,27)14-13-17-7-5-4-6-8-17)15-20(25)22-19-11-9-18(10-12-19)21-16(2)24/h4-14H,3,15H2,1-2H3,(H,21,24)(H,22,25)/b14-13+.
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 2546747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).