propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate

C24H30N2O6S — CID 46657276

IUPACpropan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O6S/c1-16(2)32-24(29)15-22(20-7-5-17(3)6-8-20)26-23(28)13-14-25-33(30,31)21-11-9-19(10-12-21)18(4)27/h5-12,16,22,25H,13-15H2,1-4H3,(H,26,28)
InChIKeyYFLAIWQRWQDXBK-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.07
Rot. Bonds11

About propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate

propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate (PubChem CID 46657276) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
PubChem CID46657276
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Namepropan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O6S/c1-16(2)32-24(29)15-22(20-7-5-17(3)6-8-20)26-23(28)13-14-25-33(30,31)21-11-9-19(10-12-21)18(4)27/h5-12,16,22,25H,13-15H2,1-4H3,(H,26,28)
InChIKeyYFLAIWQRWQDXBK-UHFFFAOYSA-N
XLogP3.07
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55439601
methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440320
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
methyl 3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate
CID 46657423
3-[(4-acetylphenyl)sulfonylamino]-N-[(1S,2R)-1-(4-fluorophenyl)-1-methoxypropan-2-yl]propanamide
CID 97255673
methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-phenylpropanoate
CID 24554440
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 41259437
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 24817979
methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate
CID 9277760
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168409

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate (CID 46657276) is propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC(CC(=O)OC(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is YFLAIWQRWQDXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-16(2)32-24(29)15-22(20-7-5-17(3)6-8-20)26-23(28)13-14-25-33(30,31)21-11-9-19(10-12-21)18(4)27/h5-12,16,22,25H,13-15H2,1-4H3,(H,26,28).
What are the key properties of propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate?
propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 474.58 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 46657276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).