(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide

C24H26N2O4S — CID 2238568

IUPAC(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-13-22(14-10-18)30-19(2)24(27)25-21-11-15-23(16-12-21)31(28,29)26(3)17-20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyUHMXBHLFZYBHFO-IBGZPJMESA-N
MW438.55 g/mol
LogP4.22
Rot. Bonds8

About (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide

(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 2238568) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID2238568
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-9-13-22(14-10-18)30-19(2)24(27)25-21-11-15-23(16-12-21)31(28,29)26(3)17-20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyUHMXBHLFZYBHFO-IBGZPJMESA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951795
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
CID 42905378
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide (CID 2238568) is (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is UHMXBHLFZYBHFO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-9-13-22(14-10-18)30-19(2)24(27)25-21-11-15-23(16-12-21)31(28,29)26(3)17-20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 438.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 2238568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).