N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C18H21ClN2O4S2 — CID 55888632

IUPACN-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C18H21ClN2O4S2/c1-2-25-16-7-5-13(19)11-15(16)20-17(22)12-14-6-8-18(26-14)27(23,24)21-9-3-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22)
InChIKeyLLBFCINMCUCHOX-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.77
Rot. Bonds7

About N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 55888632) has the molecular formula C18H21ClN2O4S2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID55888632
Molecular FormulaC18H21ClN2O4S2
Molecular Weight428.96 g/mol
Exact Mass428.06
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C18H21ClN2O4S2/c1-2-25-16-7-5-13(19)11-15(16)20-17(22)12-14-6-8-18(26-14)27(23,24)21-9-3-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22)
InChIKeyLLBFCINMCUCHOX-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butoxy-5-methoxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
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CID 31801318
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
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N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
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2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
N-[1-(4-chlorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55336038
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 55888632) is N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CCOc1ccc(Cl)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is LLBFCINMCUCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S2/c1-2-25-16-7-5-13(19)11-15(16)20-17(22)12-14-6-8-18(26-14)27(23,24)21-9-3-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 428.96 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 55888632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).