N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C23H37N3O3S2 — CID 60604797

IUPACN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC1CCC(N2CCC(N(C)C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C23H37N3O3S2/c1-18-5-7-20(8-6-18)25-15-11-19(12-16-25)24(2)22(27)17-21-9-10-23(30-21)31(28,29)26-13-3-4-14-26/h9-10,18-20H,3-8,11-17H2,1-2H3
InChIKeyVMUHUXOESXLPIS-UHFFFAOYSA-N
MW467.70 g/mol
LogP3.58
Rot. Bonds6

About N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 60604797) has the molecular formula C23H37N3O3S2 and a molecular weight of 467.70 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID60604797
Molecular FormulaC23H37N3O3S2
Molecular Weight467.70 g/mol
Exact Mass467.23
IUPAC NameN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC1CCC(N2CCC(N(C)C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C23H37N3O3S2/c1-18-5-7-20(8-6-18)25-15-11-19(12-16-25)24(2)22(27)17-21-9-10-23(30-21)31(28,29)26-13-3-4-14-26/h9-10,18-20H,3-8,11-17H2,1-2H3
InChIKeyVMUHUXOESXLPIS-UHFFFAOYSA-N
XLogP3.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.70
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)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

N-cyclohexyl-N-cyclopropyl-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47024589
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885
2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(2-ethylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 112760227
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
4-methyl-N'-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110920625
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37351957

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 60604797) is N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CC1CCC(N2CCC(N(C)C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)CC1.
What is the InChIKey of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is VMUHUXOESXLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S2/c1-18-5-7-20(8-6-18)25-15-11-19(12-16-25)24(2)22(27)17-21-9-10-23(30-21)31(28,29)26-13-3-4-14-26/h9-10,18-20H,3-8,11-17H2,1-2H3.
What are the key properties of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 467.70 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 60604797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).