N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide

C19H21NO3S2 — CID 20881995

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(N(C(=O)Cc2cccs2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO3S2/c1-14(2)15-5-7-16(8-6-15)20(17-9-11-25(22,23)13-17)19(21)12-18-4-3-10-24-18/h3-11,14,17H,12-13H2,1-2H3
InChIKeyLDFDPAZQNQVRLL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.76
Rot. Bonds5

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 20881995) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide
PubChem CID20881995
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(N(C(=O)Cc2cccs2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21NO3S2/c1-14(2)15-5-7-16(8-6-15)20(17-9-11-25(22,23)13-17)19(21)12-18-4-3-10-24-18/h3-11,14,17H,12-13H2,1-2H3
InChIKeyLDFDPAZQNQVRLL-UHFFFAOYSA-N
XLogP3.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 7486953
(2S)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-phenoxy-N-(4-propan-2-ylphenyl)propanamide
CID 7486967
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 7487211
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 51439746
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N,2-bis(4-methoxyphenyl)acetamide
CID 20881985
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methyl-N-(3-methylphenyl)propanamide
CID 27396518
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648515
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 7112646
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide (CID 20881995) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide is CC(C)c1ccc(N(C(=O)Cc2cccs2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is LDFDPAZQNQVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-14(2)15-5-7-16(8-6-15)20(17-9-11-25(22,23)13-17)19(21)12-18-4-3-10-24-18/h3-11,14,17H,12-13H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 375.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 20881995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).