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

C23H23ClN2O5S — CID 94015658

IUPAC(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-22(31-20-9-5-8-19(15-20)30-2)23(27)25-17-10-12-21(13-11-17)32(28,29)26-18-7-4-6-16(24)14-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyUUFCSNJYGBMASQ-QFIPXVFZSA-N
MW474.97 g/mol
LogP4.95
Rot. Bonds9

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

(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 94015658) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID94015658
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-22(31-20-9-5-8-19(15-20)30-2)23(27)25-17-10-12-21(13-11-17)32(28,29)26-18-7-4-6-16(24)14-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyUUFCSNJYGBMASQ-QFIPXVFZSA-N
XLogP4.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 43907526
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 93486859
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
(2S)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005943
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43916258
(2R)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005936
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide (CID 94015658) is (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is UUFCSNJYGBMASQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-3-22(31-20-9-5-8-19(15-20)30-2)23(27)25-17-10-12-21(13-11-17)32(28,29)26-18-7-4-6-16(24)14-18/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide?
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 474.97 g/mol, XLogP of 4.95, 9 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)butanamide is sourced from PubChem (CID 94015658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).