N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide

C15H11ClN2O2S — CID 18368083

IUPACN-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccs2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O2S/c1-8(19)17-13-10-5-4-9(16)7-11(10)18-14(13)15(20)12-3-2-6-21-12/h2-7,18H,1H3,(H,17,19)
InChIKeyHHOJWIGDPBSXJN-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.07
Rot. Bonds3

About N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide

N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide (PubChem CID 18368083) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide
PubChem CID18368083
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccs2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClN2O2S/c1-8(19)17-13-10-5-4-9(16)7-11(10)18-14(13)15(20)12-3-2-6-21-12/h2-7,18H,1H3,(H,17,19)
InChIKeyHHOJWIGDPBSXJN-UHFFFAOYSA-N
XLogP4.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide (CID 18368083) is N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide is CC(=O)Nc1c(C(=O)c2cccs2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide?
The InChIKey is HHOJWIGDPBSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-8(19)17-13-10-5-4-9(16)7-11(10)18-14(13)15(20)12-3-2-6-21-12/h2-7,18H,1H3,(H,17,19).
What are the key properties of N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide?
N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide has a molecular weight of 318.79 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 18368083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).