N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

C17H20N4O2S3 — CID 7820287

IUPACN-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCSc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1
InChIInChI=1S/C17H20N4O2S3/c1-24-16-20-21-17(26-16)25-10-14(22)19-13-9-5-4-8-12(13)15(23)18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,18,23)(H,19,22)
InChIKeyRVXXRIXFXVYRMZ-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.66
Rot. Bonds7

About N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 7820287) has the molecular formula C17H20N4O2S3 and a molecular weight of 408.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID7820287
Molecular FormulaC17H20N4O2S3
Molecular Weight408.57 g/mol
Exact Mass408.07
IUPAC NameN-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCSc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1
InChIInChI=1S/C17H20N4O2S3/c1-24-16-20-21-17(26-16)25-10-14(22)19-13-9-5-4-8-12(13)15(23)18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,18,23)(H,19,22)
InChIKeyRVXXRIXFXVYRMZ-UHFFFAOYSA-N
XLogP3.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
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N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
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CID 55764860
N-(1,3-benzodioxol-5-yl)-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 4793799
N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668225
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
N-cyclopentyl-2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 112782864
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 7820287) is N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is CSc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is RVXXRIXFXVYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S3/c1-24-16-20-21-17(26-16)25-10-14(22)19-13-9-5-4-8-12(13)15(23)18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 408.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 7820287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).