[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate

C19H24N2O5S — CID 9309341

IUPAC[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate
SMILESCCCNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O5S/c1-4-11-20-19(23)14(2)26-18(22)13-21(3)27(24,25)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyNZOIBJVGORRIBY-CQSZACIVSA-N
MW392.48 g/mol
LogP1.92
Rot. Bonds8

About [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate

[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate (PubChem CID 9309341) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate
PubChem CID9309341
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate
SMILESCCCNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O5S/c1-4-11-20-19(23)14(2)26-18(22)13-21(3)27(24,25)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyNZOIBJVGORRIBY-CQSZACIVSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 18268897
(2R)-2-[(4-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylpropanamide
CID 100528696
2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 132679337
(2S)-2-[(4-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 100624047
(2S)-2-[(3-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylpropanamide
CID 100522073
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
(2R)-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100636800
(2S)-2-[(3-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 100610656
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(3-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132630513

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate?
The IUPAC name of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate (CID 9309341) is [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate is CCCNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate?
The InChIKey is NZOIBJVGORRIBY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-11-20-19(23)14(2)26-18(22)13-21(3)27(24,25)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate?
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate has a molecular weight of 392.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[methyl(naphthalen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 9309341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).