N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C18H22N2O3S3 — CID 39754579

IUPACN-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C18H22N2O3S3/c1-24-15-7-5-6-14(12-15)19-17(21)13-16-8-9-18(25-16)26(22,23)20-10-3-2-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21)
InChIKeyCWWIOCNOIFDNBM-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.83
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 39754579) has the molecular formula C18H22N2O3S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID39754579
Molecular FormulaC18H22N2O3S3
Molecular Weight410.59 g/mol
Exact Mass410.08
IUPAC NameN-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C18H22N2O3S3/c1-24-15-7-5-6-14(12-15)19-17(21)13-16-8-9-18(25-16)26(22,23)20-10-3-2-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21)
InChIKeyCWWIOCNOIFDNBM-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanylphenyl)-2-(5-piperidin-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-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 46553189
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 32581307
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
tert-butyl N-methyl-N-[[3-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55930910
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 39754579) is N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CSc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is CWWIOCNOIFDNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S3/c1-24-15-7-5-6-14(12-15)19-17(21)13-16-8-9-18(25-16)26(22,23)20-10-3-2-4-11-20/h5-9,12H,2-4,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 410.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 39754579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).