N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide

C22H19ClN2OS — CID 67973784

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccsc2)cc1
InChIInChI=1S/C22H19ClN2OS/c23-19-5-6-21-20(12-19)18(13-25-21)7-9-24-22(26)17-3-1-15(2-4-17)11-16-8-10-27-14-16/h1-6,8,10,12-14,25H,7,9,11H2,(H,24,26)
InChIKeySNVHQIQQYXKPST-UHFFFAOYSA-N
MW394.93 g/mol
LogP5.45
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide (PubChem CID 67973784) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide
PubChem CID67973784
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccsc2)cc1
InChIInChI=1S/C22H19ClN2OS/c23-19-5-6-21-20(12-19)18(13-25-21)7-9-24-22(26)17-3-1-15(2-4-17)11-16-8-10-27-14-16/h1-6,8,10,12-14,25H,7,9,11H2,(H,24,26)
InChIKeySNVHQIQQYXKPST-UHFFFAOYSA-N
XLogP5.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide (CID 67973784) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccsc2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide?
The InChIKey is SNVHQIQQYXKPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c23-19-5-6-21-20(12-19)18(13-25-21)7-9-24-22(26)17-3-1-15(2-4-17)11-16-8-10-27-14-16/h1-6,8,10,12-14,25H,7,9,11H2,(H,24,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide has a molecular weight of 394.93 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 67973784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).