4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide

C25H32N2O3S — CID 11957752

IUPAC4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCNC(C)C)COc2ccccc2)c2ccccc12
InChIInChI=1S/C25H32N2O3S/c1-19(2)26-17-9-10-21(18-30-22-11-5-4-6-12-22)27-31(28,29)25-16-15-20(3)23-13-7-8-14-24(23)25/h4-8,11-16,19,21,26-27H,9-10,17-18H2,1-3H3/t21-/m0/s1
InChIKeyZVUAHOOPXNCFJG-NRFANRHFSA-N
MW440.61 g/mol
LogP4.65
Rot. Bonds11

About 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide

4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide (PubChem CID 11957752) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide
PubChem CID11957752
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCCNC(C)C)COc2ccccc2)c2ccccc12
InChIInChI=1S/C25H32N2O3S/c1-19(2)26-17-9-10-21(18-30-22-11-5-4-6-12-22)27-31(28,29)25-16-15-20(3)23-13-7-8-14-24(23)25/h4-8,11-16,19,21,26-27H,9-10,17-18H2,1-3H3/t21-/m0/s1
InChIKeyZVUAHOOPXNCFJG-NRFANRHFSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.65
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-[(2S)-4-hydrazinyl-1-phenylmethoxybutan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91080810
N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 68700529
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
N-[(2S)-5-amino-2-phenoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 154457668
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
2-[(2S)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-phenylmethoxybutyl]guanidine;2,2,2-trifluoroacetic acid
CID 161320589
(3R)-3-[(4-methylnaphthalen-1-yl)sulfonylamino]-4-naphthalen-1-ylbutanamide
CID 91438962
1-phenoxy-N-propyldecan-2-amine
CID 63416663
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
CID 118188377
3-(2-ethylsulfonylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55065454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide (CID 11957752) is 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(C)C)COc2ccccc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is ZVUAHOOPXNCFJG-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-19(2)26-17-9-10-21(18-30-22-11-5-4-6-12-22)27-31(28,29)25-16-15-20(3)23-13-7-8-14-24(23)25/h4-8,11-16,19,21,26-27H,9-10,17-18H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide?
4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 440.61 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-phenoxy-5-(propan-2-ylamino)pentan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11957752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).