2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide

C12H16BrN3O4S — CID 9224655

IUPAC2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrN3O4S/c1-2-14-11(17)7-15-12(18)8-16-21(19,20)10-6-4-3-5-9(10)13/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyXZKHRXNUQIYFDS-UHFFFAOYSA-N
MW378.25 g/mol
LogP-0.02
Rot. Bonds7

About 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide

2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide (PubChem CID 9224655) has the molecular formula C12H16BrN3O4S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
PubChem CID9224655
Molecular FormulaC12H16BrN3O4S
Molecular Weight378.25 g/mol
Exact Mass377.00
IUPAC Name2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrN3O4S/c1-2-14-11(17)7-15-12(18)8-16-21(19,20)10-6-4-3-5-9(10)13/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyXZKHRXNUQIYFDS-UHFFFAOYSA-N
XLogP-0.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224808
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide
CID 71913427
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 9412386
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide (CID 9224655) is 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide?
The InChIKey is XZKHRXNUQIYFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4S/c1-2-14-11(17)7-15-12(18)8-16-21(19,20)10-6-4-3-5-9(10)13/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide?
2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide has a molecular weight of 378.25 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 9224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).