N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

C13H17BrN2O3S — CID 81038558

IUPACN-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESO=C(CNCC1CCCS1(=O)=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O3S/c14-10-3-1-4-11(7-10)16-13(17)9-15-8-12-5-2-6-20(12,18)19/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17)
InChIKeyMOQRZMYLBXUIDO-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.55
Rot. Bonds5

About N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (PubChem CID 81038558) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
PubChem CID81038558
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC NameN-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESO=C(CNCC1CCCS1(=O)=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O3S/c14-10-3-1-4-11(7-10)16-13(17)9-15-8-12-5-2-6-20(12,18)19/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17)
InChIKeyMOQRZMYLBXUIDO-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133334
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
3-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81039516
N-(3-bromophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110862888
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
CID 60857365
N-(3-bromophenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51720350
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (CID 81038558) is N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is O=C(CNCC1CCCS1(=O)=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The InChIKey is MOQRZMYLBXUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-10-3-1-4-11(7-10)16-13(17)9-15-8-12-5-2-6-20(12,18)19/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,16,17).
What are the key properties of N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide has a molecular weight of 361.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is sourced from PubChem (CID 81038558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).