(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

C22H21ClN2O5S — CID 94012774

IUPAC(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H21ClN2O5S/c1-15(30-20-8-4-7-19(14-20)29-2)22(26)24-17-9-11-21(12-10-17)31(27,28)25-18-6-3-5-16(23)13-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyBHKFSQNQYQUIFI-HNNXBMFYSA-N
MW460.94 g/mol
LogP4.56
Rot. Bonds8

About (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 94012774) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID94012774
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H21ClN2O5S/c1-15(30-20-8-4-7-19(14-20)29-2)22(26)24-17-9-11-21(12-10-17)31(27,28)25-18-6-3-5-16(23)13-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyBHKFSQNQYQUIFI-HNNXBMFYSA-N
XLogP4.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
(2S)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 92673273
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
2-(3-chlorophenoxy)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 43916851
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (CID 94012774) is (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is BHKFSQNQYQUIFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-15(30-20-8-4-7-19(14-20)29-2)22(26)24-17-9-11-21(12-10-17)31(27,28)25-18-6-3-5-16(23)13-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 460.94 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 94012774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).