N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

C17H21NO3S2 — CID 9167306

IUPACN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)14-6-8-15(9-7-14)23(20,21)17(11-18-13(3)19)16-5-4-10-22-16/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyRRYOWZKIFZKVEF-QGZVFWFLSA-N
MW351.49 g/mol
LogP3.52
Rot. Bonds6

About N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (PubChem CID 9167306) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
PubChem CID9167306
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H21NO3S2/c1-12(2)14-6-8-15(9-7-14)23(20,21)17(11-18-13(3)19)16-5-4-10-22-16/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1
InChIKeyRRYOWZKIFZKVEF-QGZVFWFLSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9167673
N-methyl-N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9167656
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22583997
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (CID 9167306) is N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is CC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is RRYOWZKIFZKVEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12(2)14-6-8-15(9-7-14)23(20,21)17(11-18-13(3)19)16-5-4-10-22-16/h4-10,12,17H,11H2,1-3H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 9167306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).