N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide

C17H17ClN2OS — CID 46416037

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c1-11-9-13-5-3-4-6-14(13)20(11)10-17(21)19-12(2)15-7-8-16(18)22-15/h3-9,12H,10H2,1-2H3,(H,19,21)
InChIKeyMVMSFTWLHXTKAZ-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 46416037) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID46416037
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C17H17ClN2OS/c1-11-9-13-5-3-4-6-14(13)20(11)10-17(21)19-12(2)15-7-8-16(18)22-15/h3-9,12H,10H2,1-2H3,(H,19,21)
InChIKeyMVMSFTWLHXTKAZ-UHFFFAOYSA-N
XLogP4.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylindol-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 51239093
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 103919706
(2S,3S)-3-methyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]pentanoic acid
CID 119194405
2-(2-methylindol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 43036916
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 47011380
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
2-(2-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17460159

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide (CID 46416037) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is MVMSFTWLHXTKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-11-9-13-5-3-4-6-14(13)20(11)10-17(21)19-12(2)15-7-8-16(18)22-15/h3-9,12H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 332.86 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 46416037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).