N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide

C24H28N4O5S — CID 118633893

IUPACN-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(NS(=O)(=O)C5CC5)c4)cc3)CC2)COC1
InChIInChI=1S/C24H28N4O5S/c25-24(15-33-16-24)23(30)28-12-10-27(11-13-28)22(29)18-6-4-17(5-7-18)19-2-1-3-20(14-19)26-34(31,32)21-8-9-21/h1-7,14,21,26H,8-13,15-16,25H2
InChIKeyIGIGTTCGNANACV-UHFFFAOYSA-N
MW484.58 g/mol
LogP1.27
Rot. Bonds6

About N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide

N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide (PubChem CID 118633893) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
PubChem CID118633893
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(NS(=O)(=O)C5CC5)c4)cc3)CC2)COC1
InChIInChI=1S/C24H28N4O5S/c25-24(15-33-16-24)23(30)28-12-10-27(11-13-28)22(29)18-6-4-17(5-7-18)19-2-1-3-20(14-19)26-34(31,32)21-8-9-21/h1-7,14,21,26H,8-13,15-16,25H2
InChIKeyIGIGTTCGNANACV-UHFFFAOYSA-N
XLogP1.27
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone
CID 118639566
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
CID 152505868
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118633886
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide
CID 153313185
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871
N-[3-[4-[4-(1-methoxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-N-methylcyclopropanesulfonamide
CID 118621486
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(1,3-benzothiazol-2-yl)phenyl]methanone
CID 118621640
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(6-chloro-2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]methanone
CID 118639681

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide (CID 118633893) is N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide is NC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(NS(=O)(=O)C5CC5)c4)cc3)CC2)COC1.
What is the InChIKey of N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide?
The InChIKey is IGIGTTCGNANACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c25-24(15-33-16-24)23(30)28-12-10-27(11-13-28)22(29)18-6-4-17(5-7-18)19-2-1-3-20(14-19)26-34(31,32)21-8-9-21/h1-7,14,21,26H,8-13,15-16,25H2.
What are the key properties of N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide?
N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 118633893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).