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

C26H25N3O2S — CID 55647904

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C26H25N3O2S/c1-16-12-20(16)26(31)29-18-7-4-6-17(13-18)25(30)28-15-22(24-10-5-11-32-24)21-14-27-23-9-3-2-8-19(21)23/h2-11,13-14,16,20,22,27H,12,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyDKLSIYWFJGPUJC-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.39
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55647904) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55647904
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C26H25N3O2S/c1-16-12-20(16)26(31)29-18-7-4-6-17(13-18)25(30)28-15-22(24-10-5-11-32-24)21-14-27-23-9-3-2-8-19(21)23/h2-11,13-14,16,20,22,27H,12,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyDKLSIYWFJGPUJC-UHFFFAOYSA-N
XLogP5.39
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
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
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
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 51924941
N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55824718
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049716
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
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
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55647904) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is DKLSIYWFJGPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-16-12-20(16)26(31)29-18-7-4-6-17(13-18)25(30)28-15-22(24-10-5-11-32-24)21-14-27-23-9-3-2-8-19(21)23/h2-11,13-14,16,20,22,27H,12,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 443.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55647904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).