(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide

C16H18N2O4S — CID 7371830

IUPAC(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11-3-7-14(8-4-11)22-12(2)16(19)18-13-5-9-15(10-6-13)23(17,20)21/h3-10,12H,1-2H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyRDTCMMCCWCMCAB-LBPRGKRZSA-N
MW334.40 g/mol
LogP2.05
Rot. Bonds5

About (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide

(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 7371830) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID7371830
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-11-3-7-14(8-4-11)22-12(2)16(19)18-13-5-9-15(10-6-13)23(17,20)21/h3-10,12H,1-2H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyRDTCMMCCWCMCAB-LBPRGKRZSA-N
XLogP2.05
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 7908187
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 7371830) is (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is RDTCMMCCWCMCAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-3-7-14(8-4-11)22-12(2)16(19)18-13-5-9-15(10-6-13)23(17,20)21/h3-10,12H,1-2H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 334.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 7371830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).