2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide

C20H27N3O4S — CID 95786408

IUPAC2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](COC)Cc1ccccc1
InChIInChI=1S/C20H27N3O4S/c1-3-23(18(15-27-2)12-16-8-5-4-6-9-16)14-20(24)22-17-10-7-11-19(13-17)28(21,25)26/h4-11,13,18H,3,12,14-15H2,1-2H3,(H,22,24)(H2,21,25,26)/t18-/m0/s1
InChIKeyRPLOMVUEPMJUJP-SFHVURJKSA-N
MW405.52 g/mol
LogP1.85
Rot. Bonds10

About 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide

2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 95786408) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID95786408
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](COC)Cc1ccccc1
InChIInChI=1S/C20H27N3O4S/c1-3-23(18(15-27-2)12-16-8-5-4-6-9-16)14-20(24)22-17-10-7-11-19(13-17)28(21,25)26/h4-11,13,18H,3,12,14-15H2,1-2H3,(H,22,24)(H2,21,25,26)/t18-/m0/s1
InChIKeyRPLOMVUEPMJUJP-SFHVURJKSA-N
XLogP1.85
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
CID 129396881
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599
3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
CID 119032493

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide (CID 95786408) is 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide is CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](COC)Cc1ccccc1.
What is the InChIKey of 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is RPLOMVUEPMJUJP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-3-23(18(15-27-2)12-16-8-5-4-6-9-16)14-20(24)22-17-10-7-11-19(13-17)28(21,25)26/h4-11,13,18H,3,12,14-15H2,1-2H3,(H,22,24)(H2,21,25,26)/t18-/m0/s1.
What are the key properties of 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide?
2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 95786408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).