N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide

C22H29N3O5S — CID 55707974

IUPACN-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-30-18-8-10-19(11-9-18)31(28,29)23-13-12-21(26)25-20-14-17(7-6-16(20)4)24-22(27)15(2)3/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyILHJDDAUMVUZEX-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.30
Rot. Bonds10

About N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide

N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 55707974) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
PubChem CID55707974
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1
InChIInChI=1S/C22H29N3O5S/c1-5-30-18-8-10-19(11-9-18)31(28,29)23-13-12-21(26)25-20-14-17(7-6-16(20)4)24-22(27)15(2)3/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyILHJDDAUMVUZEX-UHFFFAOYSA-N
XLogP3.30
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619042
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789058
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 112762702
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide (CID 55707974) is N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1.
What is the InChIKey of N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is ILHJDDAUMVUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-5-30-18-8-10-19(11-9-18)31(28,29)23-13-12-21(26)25-20-14-17(7-6-16(20)4)24-22(27)15(2)3/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 447.56 g/mol, XLogP of 3.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 55707974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).