N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C21H31N5O3S — CID 3213561

IUPACN-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CCCN1CCOCC1
InChIInChI=1S/C21H31N5O3S/c1-16-18(7-12-29-16)20-23-24-21(30-15-19(27)22-17-5-2-3-6-17)26(20)9-4-8-25-10-13-28-14-11-25/h7,12,17H,2-6,8-11,13-15H2,1H3,(H,22,27)
InChIKeyGHJCKXDTNCBGBM-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.72
Rot. Bonds9

About N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3213561) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3213561
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC NameN-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CCCN1CCOCC1
InChIInChI=1S/C21H31N5O3S/c1-16-18(7-12-29-16)20-23-24-21(30-15-19(27)22-17-5-2-3-6-17)26(20)9-4-8-25-10-13-28-14-11-25/h7,12,17H,2-6,8-11,13-15H2,1H3,(H,22,27)
InChIKeyGHJCKXDTNCBGBM-UHFFFAOYSA-N
XLogP2.72
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclohexyl-2-[[4-(3-methoxypropyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3152887
N-cyclopentyl-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1455087
N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3213562
N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1455091
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 37324425
N-[(1S,2R)-2-methylcyclohexyl]-2-[[5-(2-methylfuran-3-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7391068
2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2652001
2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7391079
2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 3213564
2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 654349
2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 3213597
N-cyclopentyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18777548

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3213561) is N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CCCN1CCOCC1.
What is the InChIKey of N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is GHJCKXDTNCBGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-16-18(7-12-29-16)20-23-24-21(30-15-19(27)22-17-5-2-3-6-17)26(20)9-4-8-25-10-13-28-14-11-25/h7,12,17H,2-6,8-11,13-15H2,1H3,(H,22,27).
What are the key properties of N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 433.58 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(2-methylfuran-3-yl)-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3213561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).