2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C14H19BrN2O4S — CID 2925130

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyFABNPILDCZJKAW-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.36
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2925130) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2925130
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyFABNPILDCZJKAW-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)sulfonyl-methylamino]-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-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2925130) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FABNPILDCZJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-17(10-14(18)16-9-12-3-2-8-21-12)22(19,20)13-6-4-11(15)5-7-13/h4-7,12H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 391.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2925130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).