4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide

C19H22FNO3S — CID 31556372

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1F
InChIInChI=1S/C19H22FNO3S/c1-11-9-15(13(3)25-11)17(22)6-8-19(23)21-12(2)14-5-7-18(24-4)16(20)10-14/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,23)/t12-/m0/s1
InChIKeyGPLKDOSCUTVLIT-LBPRGKRZSA-N
MW363.45 g/mol
LogP4.35
Rot. Bonds7

About 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide (PubChem CID 31556372) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
PubChem CID31556372
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1ccc([C@H](C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1F
InChIInChI=1S/C19H22FNO3S/c1-11-9-15(13(3)25-11)17(22)6-8-19(23)21-12(2)14-5-7-18(24-4)16(20)10-14/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,23)/t12-/m0/s1
InChIKeyGPLKDOSCUTVLIT-LBPRGKRZSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide with MolForge

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31556368
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide (CID 31556372) is 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide is COc1ccc([C@H](C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1F.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide?
The InChIKey is GPLKDOSCUTVLIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-11-9-15(13(3)25-11)17(22)6-8-19(23)21-12(2)14-5-7-18(24-4)16(20)10-14/h5,7,9-10,12H,6,8H2,1-4H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide has a molecular weight of 363.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 31556372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).