N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H24N4OS — CID 18134476

IUPACN-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-10(2)15-13(19)9-20-14-16-12(17-18-14)8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCXUUCJPVAGWLCY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds7

About N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 18134476) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID18134476
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCC(C)NC(=O)CSc1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-10(2)15-13(19)9-20-14-16-12(17-18-14)8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCXUUCJPVAGWLCY-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 18134476) is N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCC(C)NC(=O)CSc1n[nH]c(CC2CCCC2)n1.
What is the InChIKey of N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is CXUUCJPVAGWLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-10(2)15-13(19)9-20-14-16-12(17-18-14)8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 18134476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).