N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide

C18H25N3O4S — CID 113098040

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide
SMILESCCc1ccc(S(=O)(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O4S/c1-2-14-3-7-16(8-4-14)26(24,25)18(23)19-13-17(22)21-11-9-20(10-12-21)15-5-6-15/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23)
InChIKeyVZCLIHGLMYJFOC-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide (PubChem CID 113098040) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide
PubChem CID113098040
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide
SMILESCCc1ccc(S(=O)(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H25N3O4S/c1-2-14-3-7-16(8-4-14)26(24,25)18(23)19-13-17(22)21-11-9-20(10-12-21)15-5-6-15/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23)
InChIKeyVZCLIHGLMYJFOC-UHFFFAOYSA-N
XLogP1.04
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-2-oxopropanamide
CID 113098017
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)sulfonylformamide
CID 113098047
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(2-phenylethylsulfonyl)formamide
CID 113098055
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide
CID 113097993
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
methyl 2-[[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]amino]-2-oxoacetate
CID 113098020
2-(4-ethylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 75445681
2-(4-tert-butylphenyl)-N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxoacetamide
CID 113097989
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione
CID 78809037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide (CID 113098040) is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide is CCc1ccc(S(=O)(=O)C(=O)NCC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide?
The InChIKey is VZCLIHGLMYJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-2-14-3-7-16(8-4-14)26(24,25)18(23)19-13-17(22)21-11-9-20(10-12-21)15-5-6-15/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide?
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide has a molecular weight of 379.48 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)sulfonylformamide is sourced from PubChem (CID 113098040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).