N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide

C17H25N3O4S — CID 18565443

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-24-16-6-4-15(5-7-16)19-9-11-20(12-10-19)25(22,23)13-8-18-17(21)14-2-3-14/h4-7,14H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyHRKZVOJKXHPIPU-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.67
Rot. Bonds7

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide (PubChem CID 18565443) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
PubChem CID18565443
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-24-16-6-4-15(5-7-16)19-9-11-20(12-10-19)25(22,23)13-8-18-17(21)14-2-3-14/h4-7,14H,2-3,8-13H2,1H3,(H,18,21)
InChIKeyHRKZVOJKXHPIPU-UHFFFAOYSA-N
XLogP0.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide (CID 18565443) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide is COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide?
The InChIKey is HRKZVOJKXHPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-24-16-6-4-15(5-7-16)19-9-11-20(12-10-19)25(22,23)13-8-18-17(21)14-2-3-14/h4-7,14H,2-3,8-13H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 18565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).