2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

C26H30N2O3S — CID 125058105

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-4-22-10-8-9-13-25(22)28(32(30,31)24-16-14-20(2)15-17-24)19-26(29)27-18-21(3)23-11-6-5-7-12-23/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)/t21-/m0/s1
InChIKeyWUUIUVMXMARMFZ-NRFANRHFSA-N
MW450.60 g/mol
LogP4.67
Rot. Bonds9

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 125058105) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID125058105
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O3S/c1-4-22-10-8-9-13-25(22)28(32(30,31)24-16-14-20(2)15-17-24)19-26(29)27-18-21(3)23-11-6-5-7-12-23/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)/t21-/m0/s1
InChIKeyWUUIUVMXMARMFZ-NRFANRHFSA-N
XLogP4.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
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-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057166
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057674
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30170701
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126322569
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide (CID 125058105) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is CCc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is WUUIUVMXMARMFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-4-22-10-8-9-13-25(22)28(32(30,31)24-16-14-20(2)15-17-24)19-26(29)27-18-21(3)23-11-6-5-7-12-23/h5-17,21H,4,18-19H2,1-3H3,(H,27,29)/t21-/m0/s1.
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 450.60 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 125058105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).