N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide

C26H31N3O5S — CID 153313185

IUPACN-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide
SMILESO=C(c1ccccc1-c1cccc(NS(=O)(=O)C2CCCC2)c1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C26H31N3O5S/c30-24(28-14-16-29(17-15-28)25(31)26(32)12-13-26)23-11-4-3-10-22(23)19-6-5-7-20(18-19)27-35(33,34)21-8-1-2-9-21/h3-7,10-11,18,21,27,32H,1-2,8-9,12-17H2
InChIKeyTVLIYWRDODJNKF-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.85
Rot. Bonds6

About N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide

N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide (PubChem CID 153313185) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide
PubChem CID153313185
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide
SMILESO=C(c1ccccc1-c1cccc(NS(=O)(=O)C2CCCC2)c1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C26H31N3O5S/c30-24(28-14-16-29(17-15-28)25(31)26(32)12-13-26)23-11-4-3-10-22(23)19-6-5-7-20(18-19)27-35(33,34)21-8-1-2-9-21/h3-7,10-11,18,21,27,32H,1-2,8-9,12-17H2
InChIKeyTVLIYWRDODJNKF-UHFFFAOYSA-N
XLogP2.85
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
CID 118633893
[4-[3-(cyclobutylsulfonylmethyl)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 160911410
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
N-methyl-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidine-4-sulfonamide
CID 136545712
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide (CID 153313185) is N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide is O=C(c1ccccc1-c1cccc(NS(=O)(=O)C2CCCC2)c1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide?
The InChIKey is TVLIYWRDODJNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c30-24(28-14-16-29(17-15-28)25(31)26(32)12-13-26)23-11-4-3-10-22(23)19-6-5-7-20(18-19)27-35(33,34)21-8-1-2-9-21/h3-7,10-11,18,21,27,32H,1-2,8-9,12-17H2.
What are the key properties of N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide?
N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide has a molecular weight of 497.62 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 153313185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).