1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide

C18H20N2O2S — CID 75390351

IUPAC1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(10-13-8-9-23-11-13)19-17(21)14-2-4-15(5-3-14)18(22)20-16-6-7-16/h2-5,8-9,11-12,16H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGBZYJKCKTOFAFX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.00
Rot. Bonds6

About 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide (PubChem CID 75390351) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
PubChem CID75390351
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O2S/c1-12(10-13-8-9-23-11-13)19-17(21)14-2-4-15(5-3-14)18(22)20-16-6-7-16/h2-5,8-9,11-12,16H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyGBZYJKCKTOFAFX-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787637
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide (CID 75390351) is 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide is CC(Cc1ccsc1)NC(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is GBZYJKCKTOFAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(10-13-8-9-23-11-13)19-17(21)14-2-4-15(5-3-14)18(22)20-16-6-7-16/h2-5,8-9,11-12,16H,6-7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 75390351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).