methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate

C15H20N2O4S — CID 123274412

IUPACmethyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate
SMILESCCC(C)(C(=O)OC)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C15H20N2O4S/c1-5-15(2,14(18)21-3)17-10-9-11-12(16-22(4,19)20)7-6-8-13(11)17/h6-10,16H,5H2,1-4H3
InChIKeyGEOXVJWVLTVJFR-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate

methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate (PubChem CID 123274412) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate
PubChem CID123274412
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate
SMILESCCC(C)(C(=O)OC)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C15H20N2O4S/c1-5-15(2,14(18)21-3)17-10-9-11-12(16-22(4,19)20)7-6-8-13(11)17/h6-10,16H,5H2,1-4H3
InChIKeyGEOXVJWVLTVJFR-UHFFFAOYSA-N
XLogP2.31
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-chlorophenyl)-4-[4-(methanesulfonamido)indol-1-yl]hexanoate
CID 70562931
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-methylbutanamide
CID 76555707
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
CID 70560860
2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 86206980
N-[1-[3-(4-chlorophenyl)-6-fluorohexan-3-yl]indol-4-yl]methanesulfonamide
CID 70564766
N-[1-[3-(4-chlorophenyl)-1-methylsulfanylpentan-3-yl]indol-4-yl]methanesulfonamide
CID 70564130
N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide
CID 70565041
N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
CID 70564342
2-methyl-2-(4-methylindol-1-yl)butanoic acid
CID 114991143
N-[1-[1-(4-chlorophenyl)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
CID 122429342
N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
CID 122429351
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 86207509

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate?
The IUPAC name of methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate (CID 123274412) is methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate.
What is the SMILES notation for methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate?
The canonical SMILES for methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate is CCC(C)(C(=O)OC)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate?
The InChIKey is GEOXVJWVLTVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-5-15(2,14(18)21-3)17-10-9-11-12(16-22(4,19)20)7-6-8-13(11)17/h6-10,16H,5H2,1-4H3.
What are the key properties of methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate?
methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate has a molecular weight of 324.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methanesulfonamido)indol-1-yl]-2-methylbutanoate is sourced from PubChem (CID 123274412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).