(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide

C21H19BrN2O4S — CID 1290052

IUPAC(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-20(15-5-3-2-4-6-15)21(25)23-17-11-13-19(14-12-17)29(26,27)24-18-9-7-16(22)8-10-18/h2-14,20,24H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyCEFWADIFSTWTAR-FQEVSTJZSA-N
MW475.36 g/mol
LogP4.58
Rot. Bonds7

About (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide

(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide (PubChem CID 1290052) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide
PubChem CID1290052
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-20(15-5-3-2-4-6-15)21(25)23-17-11-13-19(14-12-17)29(26,27)24-18-9-7-16(22)8-10-18/h2-14,20,24H,1H3,(H,23,25)/t20-/m0/s1
InChIKeyCEFWADIFSTWTAR-FQEVSTJZSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide (CID 1290052) is (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide?
The InChIKey is CEFWADIFSTWTAR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-28-20(15-5-3-2-4-6-15)21(25)23-17-11-13-19(14-12-17)29(26,27)24-18-9-7-16(22)8-10-18/h2-14,20,24H,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide?
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide has a molecular weight of 475.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 1290052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).