3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

C23H23N3OS — CID 4858646

IUPAC3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3OS/c1-26(2)17-8-5-7-16(13-17)23(27)25-15-20(22-11-6-12-28-22)19-14-24-21-10-4-3-9-18(19)21/h3-14,20,24H,15H2,1-2H3,(H,25,27)
InChIKeyYVSUNVURIKGLBA-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.86
Rot. Bonds6

About 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 4858646) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID4858646
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3OS/c1-26(2)17-8-5-7-16(13-17)23(27)25-15-20(22-11-6-12-28-22)19-14-24-21-10-4-3-9-18(19)21/h3-14,20,24H,15H2,1-2H3,(H,25,27)
InChIKeyYVSUNVURIKGLBA-UHFFFAOYSA-N
XLogP4.86
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55647904
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55451169
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (CID 4858646) is 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is CN(C)c1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is YVSUNVURIKGLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-26(2)17-8-5-7-16(13-17)23(27)25-15-20(22-11-6-12-28-22)19-14-24-21-10-4-3-9-18(19)21/h3-14,20,24H,15H2,1-2H3,(H,25,27).
What are the key properties of 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 4858646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).