N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide

C14H19N3O3S — CID 36907060

IUPACN-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-11-9-12-5-3-4-6-13(12)17(11)10-14(18)15-7-8-16-21(2,19)20/h3-6,9,16H,7-8,10H2,1-2H3,(H,15,18)
InChIKeyRHSCREOBQCVOBB-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide

N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 36907060) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID36907060
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-11-9-12-5-3-4-6-13(12)17(11)10-14(18)15-7-8-16-21(2,19)20/h3-6,9,16H,7-8,10H2,1-2H3,(H,15,18)
InChIKeyRHSCREOBQCVOBB-UHFFFAOYSA-N
XLogP0.62
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
CID 43060850
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 55801706
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide (CID 36907060) is N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is RHSCREOBQCVOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-9-12-5-3-4-6-13(12)17(11)10-14(18)15-7-8-16-21(2,19)20/h3-6,9,16H,7-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide?
N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 36907060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).