(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C24H26N2O5S — CID 94012374

IUPAC(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-18-7-5-6-8-23(18)31-17(2)24(27)25-19-11-15-22(16-12-19)32(28,29)26-20-9-13-21(30-3)14-10-20/h5-17,26H,4H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyHXNNYJWXEFULHS-KRWDZBQOSA-N
MW454.55 g/mol
LogP4.46
Rot. Bonds9

About (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 94012374) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID94012374
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-18-7-5-6-8-23(18)31-17(2)24(27)25-19-11-15-22(16-12-19)32(28,29)26-20-9-13-21(30-3)14-10-20/h5-17,26H,4H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyHXNNYJWXEFULHS-KRWDZBQOSA-N
XLogP4.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 94012374) is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is HXNNYJWXEFULHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-18-7-5-6-8-23(18)31-17(2)24(27)25-19-11-15-22(16-12-19)32(28,29)26-20-9-13-21(30-3)14-10-20/h5-17,26H,4H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 454.55 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 94012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).