N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide

C20H18BrN3O4S — CID 37034630

IUPACN-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)no1
InChIInChI=1S/C20H18BrN3O4S/c1-13-10-18(24-28-13)23-20(26)12-29-11-19(25)22-15-4-8-17(9-5-15)27-16-6-2-14(21)3-7-16/h2-10H,11-12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyOFFFFNKQGUATPY-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.85
Rot. Bonds8

About N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide

N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 37034630) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID37034630
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC NameN-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)no1
InChIInChI=1S/C20H18BrN3O4S/c1-13-10-18(24-28-13)23-20(26)12-29-11-19(25)22-15-4-8-17(9-5-15)27-16-6-2-14(21)3-7-16/h2-10H,11-12H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyOFFFFNKQGUATPY-UHFFFAOYSA-N
XLogP4.85
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide 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

N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
[2-(4-methoxyanilino)-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7799323
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26888725
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 51297120
(2-anilino-2-oxoethyl) 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 2543447
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26891133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide (CID 37034630) is N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide is Cc1cc(NC(=O)CSCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)no1.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is OFFFFNKQGUATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-13-10-18(24-28-13)23-20(26)12-29-11-19(25)22-15-4-8-17(9-5-15)27-16-6-2-14(21)3-7-16/h2-10H,11-12H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide?
N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 476.35 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 37034630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).