N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C21H27N3O4S — CID 9155582

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-19(17-9-5-15(2)6-10-17)24-21(26)13-22-20(25)14-23-29(27,28)18-11-7-16(3)8-12-18/h5-12,19,23H,4,13-14H2,1-3H3,(H,22,25)(H,24,26)/t19-/m1/s1
InChIKeyIAHZRJPWRMVULA-LJQANCHMSA-N
MW417.53 g/mol
LogP1.97
Rot. Bonds9

About N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 9155582) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID9155582
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-19(17-9-5-15(2)6-10-17)24-21(26)13-22-20(25)14-23-29(27,28)18-11-7-16(3)8-12-18/h5-12,19,23H,4,13-14H2,1-3H3,(H,22,25)(H,24,26)/t19-/m1/s1
InChIKeyIAHZRJPWRMVULA-LJQANCHMSA-N
XLogP1.97
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 78912710
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 30306136
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
CID 71384387

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 9155582) is N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is CC[C@@H](NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is IAHZRJPWRMVULA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-19(17-9-5-15(2)6-10-17)24-21(26)13-22-20(25)14-23-29(27,28)18-11-7-16(3)8-12-18/h5-12,19,23H,4,13-14H2,1-3H3,(H,22,25)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 417.53 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 9155582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).