N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C13H13BrN2O3S2 — CID 2479907

IUPACN-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13BrN2O3S2/c1-16(21(18,19)13-6-3-7-20-13)9-12(17)15-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyXTHYDENEYVLPNJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.77
Rot. Bonds5

About N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 2479907) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID2479907
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC NameN-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13BrN2O3S2/c1-16(21(18,19)13-6-3-7-20-13)9-12(17)15-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyXTHYDENEYVLPNJ-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]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-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39215800
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 2479907) is N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is XTHYDENEYVLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-16(21(18,19)13-6-3-7-20-13)9-12(17)15-11-5-2-4-10(14)8-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 389.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 2479907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).