N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C23H27N3O3S — CID 8937497

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCN(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-26(2)17-22(19-9-4-3-5-10-19)25-23(27)14-15-24-30(28,29)21-13-12-18-8-6-7-11-20(18)16-21/h3-13,16,22,24H,14-15,17H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyABBIUUJNUUCSIA-JOCHJYFZSA-N
MW425.55 g/mol
LogP2.93
Rot. Bonds9

About N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 8937497) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID8937497
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCN(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-26(2)17-22(19-9-4-3-5-10-19)25-23(27)14-15-24-30(28,29)21-13-12-18-8-6-7-11-20(18)16-21/h3-13,16,22,24H,14-15,17H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyABBIUUJNUUCSIA-JOCHJYFZSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 78819744
3-[(4-chlorophenyl)sulfonylamino]-N-[(1S)-2-(dimethylamino)-1-phenylethyl]propanamide
CID 8937587
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
CID 46522158
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
CID 41203632
[(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937046
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 8937497) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is CN(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is ABBIUUJNUUCSIA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-26(2)17-22(19-9-4-3-5-10-19)25-23(27)14-15-24-30(28,29)21-13-12-18-8-6-7-11-20(18)16-21/h3-13,16,22,24H,14-15,17H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 425.55 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 8937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).