N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide

C22H29N3O4S2 — CID 55479196

IUPACN-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H29N3O4S2/c1-16(2)21(23-19(26)15-17-7-4-3-5-8-17)22(27)25-12-10-18(11-13-25)24-31(28,29)20-9-6-14-30-20/h3-9,14,16,18,21,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyFRKJVEYCGSGORZ-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.40
Rot. Bonds8

About N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide

N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide (PubChem CID 55479196) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
PubChem CID55479196
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC NameN-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C22H29N3O4S2/c1-16(2)21(23-19(26)15-17-7-4-3-5-8-17)22(27)25-12-10-18(11-13-25)24-31(28,29)20-9-6-14-30-20/h3-9,14,16,18,21,24H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyFRKJVEYCGSGORZ-UHFFFAOYSA-N
XLogP2.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide 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

N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 41200370
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]acetamide
CID 33172344
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide (CID 55479196) is N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide?
The InChIKey is FRKJVEYCGSGORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-16(2)21(23-19(26)15-17-7-4-3-5-8-17)22(27)25-12-10-18(11-13-25)24-31(28,29)20-9-6-14-30-20/h3-9,14,16,18,21,24H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide?
N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide has a molecular weight of 463.63 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 55479196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).