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

C20H27N5O2S2 — CID 27988089

IUPACN-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
SMILESCC(C)CNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1
InChIInChI=1S/C20H27N5O2S2/c1-13(2)11-21-19-24-25-20(29-19)28-12-17(26)23-16-10-6-5-9-15(16)18(27)22-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyWZHZSKKVAKDRGY-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.01
Rot. Bonds9

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

N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide (PubChem CID 27988089) has the molecular formula C20H27N5O2S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
PubChem CID27988089
Molecular FormulaC20H27N5O2S2
Molecular Weight433.60 g/mol
Exact Mass433.16
IUPAC NameN-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
SMILESCC(C)CNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1
InChIInChI=1S/C20H27N5O2S2/c1-13(2)11-21-19-24-25-20(29-19)28-12-17(26)23-16-10-6-5-9-15(16)18(27)22-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,24)(H,22,27)(H,23,26)
InChIKeyWZHZSKKVAKDRGY-UHFFFAOYSA-N
XLogP4.01
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46626813
N-(cyclopentylcarbamoyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 40682756
2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 7737880
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 36540804
2-[[5-(cyclohexylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7385289
2-[[2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-cyclopentylbenzamide
CID 55764860
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-(2-acetylphenyl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2608076
N-cyclohexyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46826483

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide (CID 27988089) is N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide is CC(C)CNc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is WZHZSKKVAKDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S2/c1-13(2)11-21-19-24-25-20(29-19)28-12-17(26)23-16-10-6-5-9-15(16)18(27)22-14-7-3-4-8-14/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,24)(H,22,27)(H,23,26).
What are the key properties of N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 27988089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).