N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C17H25N3O4S — CID 110811227

IUPACN-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H25N3O4S/c1-24-15-8-4-5-9-16(15)25(22,23)20-12-10-19(11-13-20)17(21)18-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyPKLWMFURGTVMGT-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.65
Rot. Bonds4

About N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811227) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811227
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H25N3O4S/c1-24-15-8-4-5-9-16(15)25(22,23)20-12-10-19(11-13-20)17(21)18-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyPKLWMFURGTVMGT-UHFFFAOYSA-N
XLogP1.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
methyl 3-[4-(cyclohexylcarbamoyl)piperazin-1-yl]sulfonylbenzoate
CID 35398766
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclooctylpiperazine-1-carboxamide
CID 46673780
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805410
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
CID 115279294
1-ethylsulfonyl-4-(2-methoxyphenyl)sulfonyl-1,4-diazepane
CID 110799657
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 110811227) is N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is PKLWMFURGTVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-24-15-8-4-5-9-16(15)25(22,23)20-12-10-19(11-13-20)17(21)18-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,18,21).
What are the key properties of N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).