N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide

C17H24N2O2S — CID 163796605

IUPACN-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
SMILESCC[C@@H](C)NC[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H24N2O2S/c1-4-13(2)18-12-14(3)19-22(20,21)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,13-14,18-19H,4,12H2,1-3H3/t13-,14+/m1/s1
InChIKeyNBJBTEDPFTYXIF-KGLIPLIRSA-N
MW320.46 g/mol
LogP2.89
Rot. Bonds7

About N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide

N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide (PubChem CID 163796605) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
PubChem CID163796605
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
SMILESCC[C@@H](C)NC[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H24N2O2S/c1-4-13(2)18-12-14(3)19-22(20,21)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,13-14,18-19H,4,12H2,1-3H3/t13-,14+/m1/s1
InChIKeyNBJBTEDPFTYXIF-KGLIPLIRSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[1-(4-dodecylpiperazin-1-yl)propan-2-yl]naphthalene-2-sulfonamide
CID 75579946
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide (CID 163796605) is N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide is CC[C@@H](C)NC[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is NBJBTEDPFTYXIF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-13(2)18-12-14(3)19-22(20,21)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,13-14,18-19H,4,12H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide?
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 320.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 163796605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).