2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C17H20N4O3S — CID 86207509

IUPAC2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C17H20N4O3S/c1-20-9-4-5-13(20)11-18-17(22)12-21-10-8-14-15(19-25(2,23)24)6-3-7-16(14)21/h3-10,19H,11-12H2,1-2H3,(H,18,22)
InChIKeyJIGCKHQEFXGQDL-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 86207509) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID86207509
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C17H20N4O3S/c1-20-9-4-5-13(20)11-18-17(22)12-21-10-8-14-15(19-25(2,23)24)6-3-7-16(14)21/h3-10,19H,11-12H2,1-2H3,(H,18,22)
InChIKeyJIGCKHQEFXGQDL-UHFFFAOYSA-N
XLogP1.67
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 86207509) is 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is JIGCKHQEFXGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-20-9-4-5-13(20)11-18-17(22)12-21-10-8-14-15(19-25(2,23)24)6-3-7-16(14)21/h3-10,19H,11-12H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)indol-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 86207509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).