N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide

C23H31N3O4S — CID 132673649

IUPACN-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-24-23(28)19(3)26(16-15-20-9-7-6-8-10-20)22(27)17-25(4)31(29,30)21-13-11-18(2)12-14-21/h6-14,19H,5,15-17H2,1-4H3,(H,24,28)
InChIKeyNUWYRUXXZTXGAI-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.21
Rot. Bonds10

About N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide

N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132673649) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132673649
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC NameN-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCNC(=O)C(C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O4S/c1-5-24-23(28)19(3)26(16-15-20-9-7-6-8-10-20)22(27)17-25(4)31(29,30)21-13-11-18(2)12-14-21/h6-14,19H,5,15-17H2,1-4H3,(H,24,28)
InChIKeyNUWYRUXXZTXGAI-UHFFFAOYSA-N
XLogP2.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132685359
N-ethyl-2-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132685458
N-ethyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132683219
N-ethyl-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132685821
2-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132734950
(2R)-2-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 125066574
(2S)-2-[benzyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propan-2-ylpropanamide
CID 100645467
2-[[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132741515
(2R)-2-[[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 125068065
2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132741475
N-butyl-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132739411
2-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132687768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide (CID 132673649) is N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide is CCNC(=O)C(C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is NUWYRUXXZTXGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-5-24-23(28)19(3)26(16-15-20-9-7-6-8-10-20)22(27)17-25(4)31(29,30)21-13-11-18(2)12-14-21/h6-14,19H,5,15-17H2,1-4H3,(H,24,28).
What are the key properties of N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide?
N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 445.59 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132673649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).