N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide

C26H25NO3S — CID 100697968

IUPACN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C26H25NO3S/c1-18-9-14-25(19(2)15-18)26(20-7-5-4-6-8-20)27-31(28,29)24-13-11-21-16-23(30-3)12-10-22(21)17-24/h4-17,26-27H,1-3H3/t26-/m1/s1
InChIKeyOMOPLLTUWPSSJJ-AREMUKBSSA-N
MW431.56 g/mol
LogP5.53
Rot. Bonds6

About N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide

N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide (PubChem CID 100697968) has the molecular formula C26H25NO3S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
PubChem CID100697968
Molecular FormulaC26H25NO3S
Molecular Weight431.56 g/mol
Exact Mass431.16
IUPAC NameN-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3C)ccc2c1
InChIInChI=1S/C26H25NO3S/c1-18-9-14-25(19(2)15-18)26(20-7-5-4-6-8-20)27-31(28,29)24-13-11-21-16-23(30-3)12-10-22(21)17-24/h4-17,26-27H,1-3H3/t26-/m1/s1
InChIKeyOMOPLLTUWPSSJJ-AREMUKBSSA-N
XLogP5.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
CID 100756510
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 134953908
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 141133880
N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]naphthalene-2-sulfonamide
CID 43890046
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide (CID 100697968) is N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3C)ccc2c1.
What is the InChIKey of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide?
The InChIKey is OMOPLLTUWPSSJJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25NO3S/c1-18-9-14-25(19(2)15-18)26(20-7-5-4-6-8-20)27-31(28,29)24-13-11-21-16-23(30-3)12-10-22(21)17-24/h4-17,26-27H,1-3H3/t26-/m1/s1.
What are the key properties of N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide?
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide has a molecular weight of 431.56 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 100697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).