N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C21H28N2O4S — CID 43891417

IUPACN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-27-17-11-13-18(14-12-17)28(25,26)23-19(20(24)22-21(2,3)4)15-16-9-7-6-8-10-16/h6-14,19,23H,5,15H2,1-4H3,(H,22,24)
InChIKeyCMWIDDIFEWUTKF-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.89
Rot. Bonds8

About N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891417) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891417
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-27-17-11-13-18(14-12-17)28(25,26)23-19(20(24)22-21(2,3)4)15-16-9-7-6-8-10-16/h6-14,19,23H,5,15H2,1-4H3,(H,22,24)
InChIKeyCMWIDDIFEWUTKF-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 30167351
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891417) is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is CMWIDDIFEWUTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-27-17-11-13-18(14-12-17)28(25,26)23-19(20(24)22-21(2,3)4)15-16-9-7-6-8-10-16/h6-14,19,23H,5,15H2,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 404.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).