N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C23H34N4O3S — CID 43883446

IUPACN-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1cccc(OC(C)c2nnc(SC(C)C(=O)NC3CCCCC3)n2C(C)C)c1
InChIInChI=1S/C23H34N4O3S/c1-15(2)27-21(16(3)30-20-13-9-12-19(14-20)29-5)25-26-23(27)31-17(4)22(28)24-18-10-7-6-8-11-18/h9,12-18H,6-8,10-11H2,1-5H3,(H,24,28)
InChIKeyNAZFCSTUPMSYEC-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.94
Rot. Bonds9

About N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 43883446) has the molecular formula C23H34N4O3S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID43883446
Molecular FormulaC23H34N4O3S
Molecular Weight446.62 g/mol
Exact Mass446.24
IUPAC NameN-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1cccc(OC(C)c2nnc(SC(C)C(=O)NC3CCCCC3)n2C(C)C)c1
InChIInChI=1S/C23H34N4O3S/c1-15(2)27-21(16(3)30-20-13-9-12-19(14-20)29-5)25-26-23(27)31-17(4)22(28)24-18-10-7-6-8-11-18/h9,12-18H,6-8,10-11H2,1-5H3,(H,24,28)
InChIKeyNAZFCSTUPMSYEC-UHFFFAOYSA-N
XLogP4.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43870539
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 43883444
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 43883489
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide
CID 43883465
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 43883524
N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 46640192
N-(2,4-difluorophenyl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43884320
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-N-cyclopentyl-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7555870
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 43869937

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 43883446) is N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is COc1cccc(OC(C)c2nnc(SC(C)C(=O)NC3CCCCC3)n2C(C)C)c1.
What is the InChIKey of N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is NAZFCSTUPMSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S/c1-15(2)27-21(16(3)30-20-13-9-12-19(14-20)29-5)25-26-23(27)31-17(4)22(28)24-18-10-7-6-8-11-18/h9,12-18H,6-8,10-11H2,1-5H3,(H,24,28).
What are the key properties of N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 446.62 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 43883446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).