3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide

C14H21BrN2O3S — CID 55376365

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)11(3)17-14(18)7-8-16-21(19,20)13-6-4-5-12(15)9-13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyDXNNHVFHGIRQDX-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.28
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide (PubChem CID 55376365) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
PubChem CID55376365
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
SMILESCC(C)C(C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)11(3)17-14(18)7-8-16-21(19,20)13-6-4-5-12(15)9-13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyDXNNHVFHGIRQDX-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
3-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 55105551
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide (CID 55376365) is 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide is CC(C)C(C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is DXNNHVFHGIRQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-10(2)11(3)17-14(18)7-8-16-21(19,20)13-6-4-5-12(15)9-13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 377.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 55376365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).