3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide

C19H17NO2S2 — CID 90612512

IUPAC3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C19H17NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h1-5,7-8,10-11,13H,6,9,12H2,(H,20,21)
InChIKeyNBOLQDGUSMWYSM-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.29
Rot. Bonds7

About 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide

3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide (PubChem CID 90612512) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
PubChem CID90612512
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C19H17NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h1-5,7-8,10-11,13H,6,9,12H2,(H,20,21)
InChIKeyNBOLQDGUSMWYSM-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613208
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide?
The IUPAC name of 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide (CID 90612512) is 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide is O=C(CCc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1.
What is the InChIKey of 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide?
The InChIKey is NBOLQDGUSMWYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c21-18(9-6-14-4-2-1-3-5-14)20-12-16-7-8-17(24-16)19(22)15-10-11-23-13-15/h1-5,7-8,10-11,13H,6,9,12H2,(H,20,21).
What are the key properties of 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide?
3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 90612512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).