N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide

C23H27FN2O3S — CID 91603985

IUPACN-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H27FN2O3S/c1-17-8-13-23(22-7-3-2-6-21(17)22)30(27,28)26-20(5-4-14-25)16-29-15-18-9-11-19(24)12-10-18/h2-3,6-13,20,26H,4-5,14-16,25H2,1H3/t20-/m0/s1
InChIKeyDHFQWFZZKGJFOC-FQEVSTJZSA-N
MW430.55 g/mol
LogP3.89
Rot. Bonds10

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

N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide (PubChem CID 91603985) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
PubChem CID91603985
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H27FN2O3S/c1-17-8-13-23(22-7-3-2-6-21(17)22)30(27,28)26-20(5-4-14-25)16-29-15-18-9-11-19(24)12-10-18/h2-3,6-13,20,26H,4-5,14-16,25H2,1H3/t20-/m0/s1
InChIKeyDHFQWFZZKGJFOC-FQEVSTJZSA-N
XLogP3.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6,7,8-tetrahydro-2-naphthylsulfonyl)[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428462
3-(methoxymethyl)-4-phenyl-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
CID 69166496
N-[(2S)-5-amino-1-[[4-(trifluoromethoxy)phenyl]methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 90890095
N-[(2S)-5-amino-1-phenylmethoxypentan-2-yl]-4-fluoronaphthalene-1-sulfonamide
CID 91352306
[(1R)-1-(4-fluorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906415
(4-Fluorophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906467
naphthalen-1-ylmethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849436
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936257
N-(2-(2-fluorophenyl)-2-methoxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 71810670
N-[2-(2-Fluorophenyl)-2-methoxypropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71810674
N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide
CID 73168442
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 73168443

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide (CID 91603985) is N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CCCN)COCc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The InChIKey is DHFQWFZZKGJFOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-17-8-13-23(22-7-3-2-6-21(17)22)30(27,28)26-20(5-4-14-25)16-29-15-18-9-11-19(24)12-10-18/h2-3,6-13,20,26H,4-5,14-16,25H2,1H3/t20-/m0/s1.
What are the key properties of N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 91603985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).