N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide

C12H17BrN2O3S — CID 113147615

IUPACN-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C12H17BrN2O3S/c1-3-7-15(19(2,17)18)9-12(16)14-11-6-4-5-10(13)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,16)
InChIKeyFTXIBPQIQBSUPZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP2.06
Rot. Bonds6

About N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide

N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147615) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147615
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC NameN-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
InChIInChI=1S/C12H17BrN2O3S/c1-3-7-15(19(2,17)18)9-12(16)14-11-6-4-5-10(13)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,16)
InChIKeyFTXIBPQIQBSUPZ-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
methyl 3-[[2-[2-methoxyethyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113149369
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147615) is N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is FTXIBPQIQBSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-3-7-15(19(2,17)18)9-12(16)14-11-6-4-5-10(13)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 349.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).