N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide

C24H29N3O3S — CID 41203632

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-27(2)23(20-10-4-3-5-11-20)18-25-24(28)13-8-16-26-31(29,30)22-15-14-19-9-6-7-12-21(19)17-22/h3-7,9-12,14-15,17,23,26H,8,13,16,18H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLSBMNVWFVATQSO-QHCPKHFHSA-N
MW439.58 g/mol
LogP3.32
Rot. Bonds10

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 41203632) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID41203632
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-27(2)23(20-10-4-3-5-11-20)18-25-24(28)13-8-16-26-31(29,30)22-15-14-19-9-6-7-12-21(19)17-22/h3-7,9-12,14-15,17,23,26H,8,13,16,18H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyLSBMNVWFVATQSO-QHCPKHFHSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
N-[2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 78819744
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 8937497
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
CID 7497879
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
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
N-methyl-4-[[3-(naphthalen-2-ylsulfonylamino)propanoylamino]methyl]-N-propan-2-ylbenzamide
CID 55636084

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide (CID 41203632) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide is CN(C)[C@@H](CNC(=O)CCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is LSBMNVWFVATQSO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-27(2)23(20-10-4-3-5-11-20)18-25-24(28)13-8-16-26-31(29,30)22-15-14-19-9-6-7-12-21(19)17-22/h3-7,9-12,14-15,17,23,26H,8,13,16,18H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 439.58 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 41203632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).