N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide

C19H23N3O4S2 — CID 8924431

IUPACN-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O4S2/c1-15(23)20-17(16-6-3-2-4-7-16)14-18(24)21-9-11-22(12-10-21)28(25,26)19-8-5-13-27-19/h2-8,13,17H,9-12,14H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyMSKSUXYGOYRFMP-QGZVFWFLSA-N
MW421.54 g/mol
LogP1.85
Rot. Bonds6

About N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide

N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide (PubChem CID 8924431) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
PubChem CID8924431
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O4S2/c1-15(23)20-17(16-6-3-2-4-7-16)14-18(24)21-9-11-22(12-10-21)28(25,26)19-8-5-13-27-19/h2-8,13,17H,9-12,14H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyMSKSUXYGOYRFMP-QGZVFWFLSA-N
XLogP1.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methyl-5-oxo-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 40636083
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 55486795
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
N-[1-(4-chlorophenyl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]acetamide
CID 55380005
N-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43039385
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
(E)-N-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 9496389
N-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24679879
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide (CID 8924431) is N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide?
The InChIKey is MSKSUXYGOYRFMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-15(23)20-17(16-6-3-2-4-7-16)14-18(24)21-9-11-22(12-10-21)28(25,26)19-8-5-13-27-19/h2-8,13,17H,9-12,14H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide?
N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 8924431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).