N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C19H24N2O3S2 — CID 37133311

IUPACN-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-14(2)16-7-3-4-8-17(16)20-18(22)13-15-9-10-19(25-15)26(23,24)21-11-5-6-12-21/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22)
InChIKeyXSQFYVYHOASCMN-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.84
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 37133311) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID37133311
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-14(2)16-7-3-4-8-17(16)20-18(22)13-15-9-10-19(25-15)26(23,24)21-11-5-6-12-21/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22)
InChIKeyXSQFYVYHOASCMN-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
N-(2-ethylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 8839489
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908008
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46553053
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-(2-fluoro-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 34741191
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55888632
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

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 37133311) is N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CC(C)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is XSQFYVYHOASCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14(2)16-7-3-4-8-17(16)20-18(22)13-15-9-10-19(25-15)26(23,24)21-11-5-6-12-21/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 37133311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).