N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide

C19H27N3O4S — CID 46480284

IUPACN-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccccc1N(CC(=O)N1CCC(NC(=O)C2CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H27N3O4S/c1-14-5-3-4-6-17(14)22(27(2,25)26)13-18(23)21-11-9-16(10-12-21)20-19(24)15-7-8-15/h3-6,15-16H,7-13H2,1-2H3,(H,20,24)
InChIKeyYBIHNVJMXDZQBA-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.28
Rot. Bonds6

About N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46480284) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46480284
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1ccccc1N(CC(=O)N1CCC(NC(=O)C2CC2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H27N3O4S/c1-14-5-3-4-6-17(14)22(27(2,25)26)13-18(23)21-11-9-16(10-12-21)20-19(24)15-7-8-15/h3-6,15-16H,7-13H2,1-2H3,(H,20,24)
InChIKeyYBIHNVJMXDZQBA-UHFFFAOYSA-N
XLogP1.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 6957245
N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 55850341
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 30855292
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30273706
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154551
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46480284) is N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide is Cc1ccccc1N(CC(=O)N1CCC(NC(=O)C2CC2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is YBIHNVJMXDZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-5-3-4-6-17(14)22(27(2,25)26)13-18(23)21-11-9-16(10-12-21)20-19(24)15-7-8-15/h3-6,15-16H,7-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46480284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).