N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

C21H25N3O5S — CID 55587870

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)C3CCCC3)c2)CCN1
InChIInChI=1S/C21H25N3O5S/c25-20-15-23(11-10-22-20)30(27,28)19-9-3-5-16(13-19)21(26)24(17-6-1-2-7-17)14-18-8-4-12-29-18/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,22,25)
InChIKeyBHDWNBLUAMUXDP-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.99
Rot. Bonds6

About N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 55587870) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID55587870
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)C3CCCC3)c2)CCN1
InChIInChI=1S/C21H25N3O5S/c25-20-15-23(11-10-22-20)30(27,28)19-9-3-5-16(13-19)21(26)24(17-6-1-2-7-17)14-18-8-4-12-29-18/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,22,25)
InChIKeyBHDWNBLUAMUXDP-UHFFFAOYSA-N
XLogP1.99
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119604999
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55594894
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
N-benzyl-3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 38357882
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46582047
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119559224
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55641637
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
4-[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 167802193
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 55587870) is N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is O=C1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccco3)C3CCCC3)c2)CCN1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is BHDWNBLUAMUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c25-20-15-23(11-10-22-20)30(27,28)19-9-3-5-16(13-19)21(26)24(17-6-1-2-7-17)14-18-8-4-12-29-18/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,22,25).
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55587870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).