N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C19H30N4O2S — CID 74246994

IUPACN-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-2-26-18-6-4-3-5-17(18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24)
InChIKeyPGUPXQVOYTUANF-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.28
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 74246994) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID74246994
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H30N4O2S/c1-2-26-18-6-4-3-5-17(18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24)
InChIKeyPGUPXQVOYTUANF-UHFFFAOYSA-N
XLogP2.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
N-(2-ethylsulfanylphenyl)-4-(thian-4-yl)piperazine-1-carboxamide
CID 74241674
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
4-methyl-N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide
CID 22985671
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 74246994) is N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is CCSc1ccccc1NC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is PGUPXQVOYTUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-2-26-18-6-4-3-5-17(18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h3-6H,2,7-16H2,1H3,(H,20,24).
What are the key properties of N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 74246994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).