propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate

C14H19BrN2O5S — CID 56543925

IUPACpropan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O5S/c1-10(2)22-14(19)8-16-13(18)9-17(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18)
InChIKeyYKOGVEWJLOJWRO-UHFFFAOYSA-N
MW407.29 g/mol
LogP1.14
Rot. Bonds7

About propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate

propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate (PubChem CID 56543925) has the molecular formula C14H19BrN2O5S and a molecular weight of 407.29 g/mol. Its IUPAC name is propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
PubChem CID56543925
Molecular FormulaC14H19BrN2O5S
Molecular Weight407.29 g/mol
Exact Mass406.02
IUPAC Namepropan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O5S/c1-10(2)22-14(19)8-16-13(18)9-17(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18)
InChIKeyYKOGVEWJLOJWRO-UHFFFAOYSA-N
XLogP1.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate 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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoate
CID 46488251
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 112826372
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate (CID 56543925) is propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate is CC(C)OC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate?
The InChIKey is YKOGVEWJLOJWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O5S/c1-10(2)22-14(19)8-16-13(18)9-17(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18).
What are the key properties of propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate?
propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate has a molecular weight of 407.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]acetate is sourced from PubChem (CID 56543925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).