N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide

C21H22N2O3S2 — CID 9157905

IUPACN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccs2)c2cccnc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15(2)16-7-9-18(10-8-16)28(25,26)20(17-5-3-11-22-13-17)14-23-21(24)19-6-4-12-27-19/h3-13,15,20H,14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyVUGXAIGEOSYOLS-FQEVSTJZSA-N
MW414.55 g/mol
LogP4.21
Rot. Bonds7

About N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide

N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide (PubChem CID 9157905) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
PubChem CID9157905
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccs2)c2cccnc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15(2)16-7-9-18(10-8-16)28(25,26)20(17-5-3-11-22-13-17)14-23-21(24)19-6-4-12-27-19/h3-13,15,20H,14H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyVUGXAIGEOSYOLS-FQEVSTJZSA-N
XLogP4.21
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-prop-2-enyloxamide
CID 9158051
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157831
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9157756
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide (CID 9157905) is N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide is CC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccs2)c2cccnc2)cc1.
What is the InChIKey of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is VUGXAIGEOSYOLS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15(2)16-7-9-18(10-8-16)28(25,26)20(17-5-3-11-22-13-17)14-23-21(24)19-6-4-12-27-19/h3-13,15,20H,14H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide?
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9157905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).