N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C26H27N3O2S — CID 10259280

IUPACN-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N[C@H](c3ccccc3)[C@H](N)c3ccccc3)cccc12
InChIInChI=1S/C26H27N3O2S/c1-29(2)23-17-9-16-22-21(23)15-10-18-24(22)32(30,31)28-26(20-13-7-4-8-14-20)25(27)19-11-5-3-6-12-19/h3-18,25-26,28H,27H2,1-2H3/t25-,26-/m1/s1
InChIKeyCZVXMPYMWAKWEV-CLJLJLNGSA-N
MW445.59 g/mol
LogP4.63
Rot. Bonds7

About N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10259280) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10259280
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N[C@H](c3ccccc3)[C@H](N)c3ccccc3)cccc12
InChIInChI=1S/C26H27N3O2S/c1-29(2)23-17-9-16-22-21(23)15-10-18-24(22)32(30,31)28-26(20-13-7-4-8-14-20)25(27)19-11-5-3-6-12-19/h3-18,25-26,28H,27H2,1-2H3/t25-,26-/m1/s1
InChIKeyCZVXMPYMWAKWEV-CLJLJLNGSA-N
XLogP4.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
CID 10829820
sodium 2-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonate
CID 58915463
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 74227480
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3,3-ditritiopropanoic acid
CID 10759723
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
1-N,5-N-bis[(1R,2R)-2-(ethynylamino)-1,2-diphenylethyl]naphthalene-1,5-disulfonamide
CID 132551488

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10259280) is N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)N[C@H](c3ccccc3)[C@H](N)c3ccccc3)cccc12.
What is the InChIKey of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is CZVXMPYMWAKWEV-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-29(2)23-17-9-16-22-21(23)15-10-18-24(22)32(30,31)28-26(20-13-7-4-8-14-20)25(27)19-11-5-3-6-12-19/h3-18,25-26,28H,27H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10259280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).