(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide

C24H25ClN2O5S — CID 28631697

IUPAC(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-4-21(32-22-8-6-5-7-19(22)25)24(28)26-17-10-12-18(13-11-17)33(29,30)27-20-15-16(2)9-14-23(20)31-3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyRLCRPPWVBXJQRS-NRFANRHFSA-N
MW488.99 g/mol
LogP5.25
Rot. Bonds9

About (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide

(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 28631697) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID28631697
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-4-21(32-22-8-6-5-7-19(22)25)24(28)26-17-10-12-18(13-11-17)33(29,30)27-20-15-16(2)9-14-23(20)31-3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyRLCRPPWVBXJQRS-NRFANRHFSA-N
XLogP5.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
(2S)-2-(2-chlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 28635319
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21173686
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21367757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide (CID 28631697) is (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is RLCRPPWVBXJQRS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-4-21(32-22-8-6-5-7-19(22)25)24(28)26-17-10-12-18(13-11-17)33(29,30)27-20-15-16(2)9-14-23(20)31-3/h5-15,21,27H,4H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 488.99 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 28631697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).