2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

C26H30N2O5S — CID 125057674

IUPAC2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H30N2O5S/c1-19-10-13-23(14-11-19)34(30,31)28(24-16-22(32-3)12-15-25(24)33-4)18-26(29)27-17-20(2)21-8-6-5-7-9-21/h5-16,20H,17-18H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyPKHMRJOGAOGLAS-FQEVSTJZSA-N
MW482.60 g/mol
LogP4.13
Rot. Bonds10

About 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 125057674) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID125057674
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H30N2O5S/c1-19-10-13-23(14-11-19)34(30,31)28(24-16-22(32-3)12-15-25(24)33-4)18-26(29)27-17-20(2)21-8-6-5-7-9-21/h5-16,20H,17-18H2,1-4H3,(H,27,29)/t20-/m0/s1
InChIKeyPKHMRJOGAOGLAS-FQEVSTJZSA-N
XLogP4.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229047
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058021
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2R)-2-phenylpropyl]acetamide
CID 125057558
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30215340
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (CID 125057674) is 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is COc1ccc(OC)c(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is PKHMRJOGAOGLAS-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19-10-13-23(14-11-19)34(30,31)28(24-16-22(32-3)12-15-25(24)33-4)18-26(29)27-17-20(2)21-8-6-5-7-9-21/h5-16,20H,17-18H2,1-4H3,(H,27,29)/t20-/m0/s1.
What are the key properties of 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 125057674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).