2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide

C25H28ClN3O4S2 — CID 142158856

IUPAC2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CN1CCC[C@](C)(NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O
InChIInChI=1S/C25H28ClN3O4S2/c1-25(27-35(32,33)23-15-19-9-10-20(26)16-21(19)34-23)12-6-13-29(24(25)31)17-22(30)28(2)14-11-18-7-4-3-5-8-18/h3-5,7-10,15-16,27H,6,11-14,17H2,1-2H3/t25-/m0/s1
InChIKeyXTEJFWYFDIRNOV-VWLOTQADSA-N
MW534.10 g/mol
LogP3.92
Rot. Bonds8

About 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide

2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 142158856) has the molecular formula C25H28ClN3O4S2 and a molecular weight of 534.10 g/mol. Its IUPAC name is 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID142158856
Molecular FormulaC25H28ClN3O4S2
Molecular Weight534.10 g/mol
Exact Mass533.12
IUPAC Name2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)CN1CCC[C@](C)(NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O
InChIInChI=1S/C25H28ClN3O4S2/c1-25(27-35(32,33)23-15-19-9-10-20(26)16-21(19)34-23)12-6-13-29(24(25)31)17-22(30)28(2)14-11-18-7-4-3-5-8-18/h3-5,7-10,15-16,27H,6,11-14,17H2,1-2H3/t25-/m0/s1
InChIKeyXTEJFWYFDIRNOV-VWLOTQADSA-N
XLogP3.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.10
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-[3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 20580902
6-chloro-N-[2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581390
6-chloro-N-[2-oxo-1-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581433
N-[1-[2-[2-(anilinomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-6-chloro-1-benzothiophene-2-sulfonamide
CID 20581586
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 20580879
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
6-chloro-N-[1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 54398462
N-benzyl-2-[8-(2,5-dichlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4132617
2-[4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidin-1-yl]acetamide
CID 67014253
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 20580880
3-[[3-[(6-chloro-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 18936125
N-[(3S)-1-[2-[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 59056133

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide (CID 142158856) is 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)CN1CCC[C@](C)(NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O.
What is the InChIKey of 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is XTEJFWYFDIRNOV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28ClN3O4S2/c1-25(27-35(32,33)23-15-19-9-10-20(26)16-21(19)34-23)12-6-13-29(24(25)31)17-22(30)28(2)14-11-18-7-4-3-5-8-18/h3-5,7-10,15-16,27H,6,11-14,17H2,1-2H3/t25-/m0/s1.
What are the key properties of 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 534.10 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-3-methyl-2-oxopiperidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 142158856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).