2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide

C20H26N2O6S3 — CID 166208442

IUPAC2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)s1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N2O6S3/c23-19(21(13-1-2-13)15-7-9-30(25,26)11-15)17-5-6-18(29-17)20(24)22(14-3-4-14)16-8-10-31(27,28)12-16/h5-6,13-16H,1-4,7-12H2
InChIKeyAWTCKKQTIMCTTA-UHFFFAOYSA-N
MW486.64 g/mol
LogP1.33
Rot. Bonds6

About 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide

2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide (PubChem CID 166208442) has the molecular formula C20H26N2O6S3 and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
PubChem CID166208442
Molecular FormulaC20H26N2O6S3
Molecular Weight486.64 g/mol
Exact Mass486.10
IUPAC Name2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
SMILESO=C(c1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)s1)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N2O6S3/c23-19(21(13-1-2-13)15-7-9-30(25,26)11-15)17-5-6-18(29-17)20(24)22(14-3-4-14)16-8-10-31(27,28)12-16/h5-6,13-16H,1-4,7-12H2
InChIKeyAWTCKKQTIMCTTA-UHFFFAOYSA-N
XLogP1.33
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-iodobenzamide
CID 55452976
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-methylbenzamide
CID 75868233
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
2-cyclopentyl-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 71847483
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55391647
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092
5-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]furan-3-carboxylic acid
CID 129467089
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55429596

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide (CID 166208442) is 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide is O=C(c1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)s1)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide?
The InChIKey is AWTCKKQTIMCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S3/c23-19(21(13-1-2-13)15-7-9-30(25,26)11-15)17-5-6-18(29-17)20(24)22(14-3-4-14)16-8-10-31(27,28)12-16/h5-6,13-16H,1-4,7-12H2.
What are the key properties of 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide?
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide has a molecular weight of 486.64 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 166208442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).