2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid

C19H20N2O5S2 — CID 11212310

IUPAC2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid
SMILESCOc1cccc(Sc2c(C)n(CC(=O)O)c3cccc(NS(C)(=O)=O)c23)c1
InChIInChI=1S/C19H20N2O5S2/c1-12-19(27-14-7-4-6-13(10-14)26-2)18-15(20-28(3,24)25)8-5-9-16(18)21(12)11-17(22)23/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyNTFYOCIPUWDUGJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.57
Rot. Bonds7

About 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid

2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid (PubChem CID 11212310) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid
PubChem CID11212310
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid
SMILESCOc1cccc(Sc2c(C)n(CC(=O)O)c3cccc(NS(C)(=O)=O)c23)c1
InChIInChI=1S/C19H20N2O5S2/c1-12-19(27-14-7-4-6-13(10-14)26-2)18-15(20-28(3,24)25)8-5-9-16(18)21(12)11-17(22)23/h4-10,20H,11H2,1-3H3,(H,22,23)
InChIKeyNTFYOCIPUWDUGJ-UHFFFAOYSA-N
XLogP3.57
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-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-[3-(4-chlorophenoxy)-4-(methanesulfonamido)-2-methylindol-1-yl]acetic acid
CID 11611215
2-[3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonylindol-1-yl]acetic acid
CID 21077815
[[1-(carboxymethyl)-3-(3-methoxyphenoxy)sulfonyl-2-methylindol-4-yl]amino]methanesulfinate
CID 174739741
2-[4-(benzylamino)-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 141369830
2-[4-acetamido-3-(3-chlorophenoxy)sulfonyl-2-methylindol-1-yl]acetic acid
CID 174739544
2-[4-acetamido-3-(4-ethylsulfonylphenoxy)sulfonyl-2-methylindol-1-yl]acetic acid
CID 174739552
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
ethyl 2-[3-(4-chlorophenyl)sulfanyl-4-(ethylcarbamoylamino)-2-methylindol-1-yl]acetate
CID 141261636
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-[4-acetamido-3-(4-chlorophenoxy)-2-methylindol-1-yl]acetic acid
CID 11682247
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid (CID 11212310) is 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid is COc1cccc(Sc2c(C)n(CC(=O)O)c3cccc(NS(C)(=O)=O)c23)c1.
What is the InChIKey of 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
The InChIKey is NTFYOCIPUWDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-12-19(27-14-7-4-6-13(10-14)26-2)18-15(20-28(3,24)25)8-5-9-16(18)21(12)11-17(22)23/h4-10,20H,11H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid?
2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid has a molecular weight of 420.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)-3-(3-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11212310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).