N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide

C22H26N2O3S — CID 154457668

IUPACN-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@](C)(CCCN)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C22H26N2O3S/c1-17-13-14-21(20-12-7-6-11-19(17)20)28(25,26)24-22(2,15-8-16-23)27-18-9-4-3-5-10-18/h3-7,9-14,24H,8,15-16,23H2,1-2H3/t22-/m0/s1
InChIKeyBRJCKDPPBKRYLI-QFIPXVFZSA-N
MW398.53 g/mol
LogP3.96
Rot. Bonds8

About N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide

N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide (PubChem CID 154457668) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
PubChem CID154457668
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@](C)(CCCN)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C22H26N2O3S/c1-17-13-14-21(20-12-7-6-11-19(17)20)28(25,26)24-22(2,15-8-16-23)27-18-9-4-3-5-10-18/h3-7,9-14,24H,8,15-16,23H2,1-2H3/t22-/m0/s1
InChIKeyBRJCKDPPBKRYLI-QFIPXVFZSA-N
XLogP3.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-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

4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
CID 118188377
3-methoxy-2-methyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 166267226
N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 68700529
4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide
CID 11957752
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
[5-(4,4-diphenoxypentylsulfonyl)-2-phenoxypentan-2-yl]oxybenzene
CID 175210947
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
CID 68528787
N-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91080810
2-[(2S)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-phenylmethoxybutyl]guanidine;2,2,2-trifluoroacetic acid
CID 161320589
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide (CID 154457668) is N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)N[C@](C)(CCCN)Oc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The InChIKey is BRJCKDPPBKRYLI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-17-13-14-21(20-12-7-6-11-19(17)20)28(25,26)24-22(2,15-8-16-23)27-18-9-4-3-5-10-18/h3-7,9-14,24H,8,15-16,23H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 154457668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).