N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C22H25N5O3S2 — CID 24666013

IUPACN-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-n1c(SCCC(=O)NC(=O)NC2CCCC2)nnc1-c1cccs1
InChIInChI=1S/C22H25N5O3S2/c1-30-17-10-5-4-9-16(17)27-20(18-11-6-13-31-18)25-26-22(27)32-14-12-19(28)24-21(29)23-15-7-2-3-8-15/h4-6,9-11,13,15H,2-3,7-8,12,14H2,1H3,(H2,23,24,28,29)
InChIKeyIWIOVLCBRYFWIO-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.26
Rot. Bonds8

About N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 24666013) has the molecular formula C22H25N5O3S2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID24666013
Molecular FormulaC22H25N5O3S2
Molecular Weight471.61 g/mol
Exact Mass471.14
IUPAC NameN-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-n1c(SCCC(=O)NC(=O)NC2CCCC2)nnc1-c1cccs1
InChIInChI=1S/C22H25N5O3S2/c1-30-17-10-5-4-9-16(17)27-20(18-11-6-13-31-18)25-26-22(27)32-14-12-19(28)24-21(29)23-15-7-2-3-8-15/h4-6,9-11,13,15H,2-3,7-8,12,14H2,1H3,(H2,23,24,28,29)
InChIKeyIWIOVLCBRYFWIO-UHFFFAOYSA-N
XLogP4.26
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(cyclohexylmethyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536814
N-cyclohexyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 16536845
(2R)-N-cyclopropyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41156106
N-(2-methoxyphenyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536817
2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7857530
N-cyclopentyl-2-[[4-(2-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35395686
2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 56520238
N-(furan-2-ylmethylcarbamoyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536750
N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536793
N-(2-ethylphenyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112780428
N-[1-(4-chlorophenyl)ethyl]-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112780431
2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 16536791

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 24666013) is N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is COc1ccccc1-n1c(SCCC(=O)NC(=O)NC2CCCC2)nnc1-c1cccs1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is IWIOVLCBRYFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S2/c1-30-17-10-5-4-9-16(17)27-20(18-11-6-13-31-18)25-26-22(27)32-14-12-19(28)24-21(29)23-15-7-2-3-8-15/h4-6,9-11,13,15H,2-3,7-8,12,14H2,1H3,(H2,23,24,28,29).
What are the key properties of N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 471.61 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 24666013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).