N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide

C22H27N3O4S — CID 24634807

IUPACN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17-8-9-18(2)20(16-17)30(28,29)25-14-12-24(13-15-25)21(26)10-11-23-22(27)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,27)
InChIKeyBBMXJMWVCZHKJK-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.96
Rot. Bonds6

About N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide

N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 24634807) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID24634807
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17-8-9-18(2)20(16-17)30(28,29)25-14-12-24(13-15-25)21(26)10-11-23-22(27)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,27)
InChIKeyBBMXJMWVCZHKJK-UHFFFAOYSA-N
XLogP1.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 38699898
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
1-(3,4-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 27514748
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(1-phenylcyclobutyl)butanamide
CID 56684918
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
CID 26020417
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 55376848
1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8638988
4-(2,5-dimethylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 6465159

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide (CID 24634807) is N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is BBMXJMWVCZHKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17-8-9-18(2)20(16-17)30(28,29)25-14-12-24(13-15-25)21(26)10-11-23-22(27)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide?
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 24634807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).