N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide

C11H15BrN2O3S — CID 119384113

IUPACN-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
SMILESNCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O3S/c12-10-3-1-2-9(6-10)7-18(16,17)8-11(15)14-5-4-13/h1-3,6H,4-5,7-8,13H2,(H,14,15)
InChIKeyVRWCROCJDOUOTQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP0.44
Rot. Bonds6

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

N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide (PubChem CID 119384113) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
PubChem CID119384113
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
SMILESNCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O3S/c12-10-3-1-2-9(6-10)7-18(16,17)8-11(15)14-5-4-13/h1-3,6H,4-5,7-8,13H2,(H,14,15)
InChIKeyVRWCROCJDOUOTQ-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119407314
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55573485
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119587419
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119607578
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60573938
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119574464
(2R)-2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-3-methylbutanoic acid
CID 119368324
N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
CID 60573595

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide (CID 119384113) is N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide is NCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide?
The InChIKey is VRWCROCJDOUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-10-3-1-2-9(6-10)7-18(16,17)8-11(15)14-5-4-13/h1-3,6H,4-5,7-8,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide?
N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide has a molecular weight of 335.22 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 119384113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).