N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

C22H21N5O2S2 — CID 4070655

IUPACN-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C22H21N5O2S2/c1-15-25-26-22(31-15)24-20(28)14-30-19-13-27(18-10-6-5-9-17(18)19)12-11-23-21(29)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,29)(H,24,26,28)
InChIKeyGAGUPYMOUXMLDL-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.96
Rot. Bonds8

About N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide

N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (PubChem CID 4070655) has the molecular formula C22H21N5O2S2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
PubChem CID4070655
Molecular FormulaC22H21N5O2S2
Molecular Weight451.58 g/mol
Exact Mass451.11
IUPAC NameN-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
SMILESCc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1
InChIInChI=1S/C22H21N5O2S2/c1-15-25-26-22(31-15)24-20(28)14-30-19-13-27(18-10-6-5-9-17(18)19)12-11-23-21(29)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,29)(H,24,26,28)
InChIKeyGAGUPYMOUXMLDL-UHFFFAOYSA-N
XLogP3.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639633
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 778154
4-tert-Butyl-N-[5-(1H-indol-3-ylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1401180
2-methoxy-N-{2-[3-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3244268
N-[2-(3-{[(2-Methylphenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]thiophene-2-carboxamide
CID 4658323
N-[5-(2-{(2E)-2-[(1-benzyl-1H-indol-3-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 6870042
N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
CID 46944231
N-butyl-N-[5-(7-fluoro-1H-indol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 57404356
N-butyl-N-[5-(1-methylindol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70685210
N-butyl-N-[5-(1H-indol-4-yl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 70693636
4-methoxy-N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3243243
N-[2-(3-{[(4-Fluorophenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]thiophene-2-carboxamide
CID 3467881

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide (CID 4070655) is N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1.
What is the InChIKey of N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
The InChIKey is GAGUPYMOUXMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S2/c1-15-25-26-22(31-15)24-20(28)14-30-19-13-27(18-10-6-5-9-17(18)19)12-11-23-21(29)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,29)(H,24,26,28).
What are the key properties of N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide?
N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide has a molecular weight of 451.58 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4070655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).