2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C20H23BrN2O4S — CID 2912534

IUPAC2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C20H23BrN2O4S/c21-17-10-8-16(9-11-17)14-23(28(25,26)19-6-2-1-3-7-19)15-20(24)22-13-18-5-4-12-27-18/h1-3,6-11,18H,4-5,12-15H2,(H,22,24)
InChIKeyNBCUSWDHCRGAES-UHFFFAOYSA-N
MW467.39 g/mol
LogP2.94
Rot. Bonds8

About 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2912534) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2912534
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCC1CCCO1
InChIInChI=1S/C20H23BrN2O4S/c21-17-10-8-16(9-11-17)14-23(28(25,26)19-6-2-1-3-7-19)15-20(24)22-13-18-5-4-12-27-18/h1-3,6-11,18H,4-5,12-15H2,(H,22,24)
InChIKeyNBCUSWDHCRGAES-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 2912534) is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NBCUSWDHCRGAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c21-17-10-8-16(9-11-17)14-23(28(25,26)19-6-2-1-3-7-19)15-20(24)22-13-18-5-4-12-27-18/h1-3,6-11,18H,4-5,12-15H2,(H,22,24).
What are the key properties of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 467.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2912534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).