2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid

C14H17N3O5S — CID 119235402

IUPAC2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
SMILESCN(CC(=O)Nc1ccc2c(ccn2CC(=O)O)c1)S(C)(=O)=O
InChIInChI=1S/C14H17N3O5S/c1-16(23(2,21)22)8-13(18)15-11-3-4-12-10(7-11)5-6-17(12)9-14(19)20/h3-7H,8-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVSPGSWNDZHMXCA-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.56
Rot. Bonds6

About 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid

2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid (PubChem CID 119235402) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
PubChem CID119235402
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
SMILESCN(CC(=O)Nc1ccc2c(ccn2CC(=O)O)c1)S(C)(=O)=O
InChIInChI=1S/C14H17N3O5S/c1-16(23(2,21)22)8-13(18)15-11-3-4-12-10(7-11)5-6-17(12)9-14(19)20/h3-7H,8-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVSPGSWNDZHMXCA-UHFFFAOYSA-N
XLogP0.56
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
2-[5-[[2-(cyclohexen-1-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235511
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-[5-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]indol-1-yl]acetic acid
CID 119235539
2-[5-[[2-(oxan-2-yl)acetyl]amino]indol-1-yl]acetic acid
CID 120687451
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-[5-[3-(oxolan-2-yl)propanoylamino]indol-1-yl]acetic acid
CID 119235479
2-[[3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]phenyl]methylsulfanyl]acetic acid
CID 119240518

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid (CID 119235402) is 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid is CN(CC(=O)Nc1ccc2c(ccn2CC(=O)O)c1)S(C)(=O)=O.
What is the InChIKey of 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid?
The InChIKey is VSPGSWNDZHMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-16(23(2,21)22)8-13(18)15-11-3-4-12-10(7-11)5-6-17(12)9-14(19)20/h3-7H,8-9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid?
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid has a molecular weight of 339.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).