2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid

C17H26N2O5S — CID 119171880

IUPAC2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C17H26N2O5S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)18-8-7-15(20)19(6)9-16(21)22/h18H,7-9H2,1-6H3,(H,21,22)
InChIKeyUYIZHXFKRLARJP-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.44
Rot. Bonds7

About 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid

2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid (PubChem CID 119171880) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid
PubChem CID119171880
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)O)c(C)c1C
InChIInChI=1S/C17H26N2O5S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)18-8-7-15(20)19(6)9-16(21)22/h18H,7-9H2,1-6H3,(H,21,22)
InChIKeyUYIZHXFKRLARJP-UHFFFAOYSA-N
XLogP1.44
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]butanoic acid
CID 119172738
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
CID 119346190
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid
CID 43091508
3-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119176966
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-pyrrolidin-3-ylpropanamide
CID 119554581
N-[(2-methoxyphenyl)methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55347838
5-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoylamino]pentanoic acid
CID 119234331
N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide
CID 56509966
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55653319
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid (CID 119171880) is 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid is Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)O)c(C)c1C.
What is the InChIKey of 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid?
The InChIKey is UYIZHXFKRLARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)18-8-7-15(20)19(6)9-16(21)22/h18H,7-9H2,1-6H3,(H,21,22).
What are the key properties of 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid?
2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid has a molecular weight of 370.47 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoyl]amino]acetic acid is sourced from PubChem (CID 119171880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).