2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide

C24H27N3O4S2 — CID 16602108

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C24H27N3O4S2/c28-22(15-19-9-6-8-18-7-2-3-10-21(18)19)26-17-23(29)25-16-20-11-12-24(32-20)33(30,31)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-17H2,(H,25,29)(H,26,28)
InChIKeyOTLIHJUTVXPQPI-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.05
Rot. Bonds8

About 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide

2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide (PubChem CID 16602108) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
PubChem CID16602108
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C24H27N3O4S2/c28-22(15-19-9-6-8-18-7-2-3-10-21(18)19)26-17-23(29)25-16-20-11-12-24(32-20)33(30,31)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-17H2,(H,25,29)(H,26,28)
InChIKeyOTLIHJUTVXPQPI-UHFFFAOYSA-N
XLogP3.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
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CID 17440789
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
CID 20973227
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55591099
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55599936
3-methyl-2-[(2-phenylacetyl)amino]-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide
CID 17483569
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide (CID 16602108) is 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide?
The InChIKey is OTLIHJUTVXPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c28-22(15-19-9-6-8-18-7-2-3-10-21(18)19)26-17-23(29)25-16-20-11-12-24(32-20)33(30,31)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-17H2,(H,25,29)(H,26,28).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide has a molecular weight of 485.63 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 16602108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).