2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide

C18H21N3O5S — CID 4845318

IUPAC2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(21-17(22)12-26-15-5-3-2-4-6-15)18(23)20-11-14-7-9-16(10-8-14)27(19,24)25/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyVZLGULSBJHTJAV-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.53
Rot. Bonds8

About 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide

2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 4845318) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID4845318
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(21-17(22)12-26-15-5-3-2-4-6-15)18(23)20-11-14-7-9-16(10-8-14)27(19,24)25/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyVZLGULSBJHTJAV-UHFFFAOYSA-N
XLogP0.53
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[(2-phenoxyacetyl)amino]hexanoic acid
CID 513410
2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10594938
N-hydroxy-2-[[4-methoxybenzenesulfonyl](benzyl)amino]propionamide
CID 15296597
(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
(2S)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide
CID 10642533
(2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-3-(tert-butoxy)-N-hydroxypropanamide
CID 10765385
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4877419
N-[(4-Methylphenyl)methyl]-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 1359124
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 23656291

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 4845318) is 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide is CC(NC(=O)COc1ccccc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is VZLGULSBJHTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(21-17(22)12-26-15-5-3-2-4-6-15)18(23)20-11-14-7-9-16(10-8-14)27(19,24)25/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 391.45 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 4845318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).