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

C18H21ClN2O3S2 — CID 35535192

IUPACN-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C18H21ClN2O3S2/c1-13-15(19)6-5-7-16(13)20-17(22)12-14-8-9-18(25-14)26(23,24)21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22)
InChIKeyZVBAVBINZYWMOQ-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.07
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 35535192) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID35535192
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C18H21ClN2O3S2/c1-13-15(19)6-5-7-16(13)20-17(22)12-14-8-9-18(25-14)26(23,24)21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22)
InChIKeyZVBAVBINZYWMOQ-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
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CID 37133311
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55461169
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46553053
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55888632
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
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-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 35535192) is N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is ZVBAVBINZYWMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c1-13-15(19)6-5-7-16(13)20-17(22)12-14-8-9-18(25-14)26(23,24)21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 412.96 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 35535192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).