5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide

C21H24N2O3S — CID 74227480

IUPAC5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(16-11-13-17(26-4)14-12-16)22-27(24,25)21-10-6-7-18-19(21)8-5-9-20(18)23(2)3/h5-15,22H,1-4H3/t15-/m1/s1
InChIKeyMJMYWDOSJUOGIH-OAHLLOKOSA-N
MW384.50 g/mol
LogP3.95
Rot. Bonds6

About 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide (PubChem CID 74227480) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
PubChem CID74227480
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C21H24N2O3S/c1-15(16-11-13-17(26-4)14-12-16)22-27(24,25)21-10-6-7-18-19(21)8-5-9-20(18)23(2)3/h5-15,22H,1-4H3/t15-/m1/s1
InChIKeyMJMYWDOSJUOGIH-OAHLLOKOSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
CID 10829820
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypropan-2-yl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3556287
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10259280

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide (CID 74227480) is 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1.
What is the InChIKey of 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is MJMYWDOSJUOGIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15(16-11-13-17(26-4)14-12-16)22-27(24,25)21-10-6-7-18-19(21)8-5-9-20(18)23(2)3/h5-15,22H,1-4H3/t15-/m1/s1.
What are the key properties of 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 74227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).