4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide

C20H25NO3S — CID 55713603

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)c2cccc(OC(C)C)c2)s1
InChIInChI=1S/C20H25NO3S/c1-13(2)24-17-7-5-6-16(12-17)15(4)21-20(23)11-9-18(22)19-10-8-14(3)25-19/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,21,23)
InChIKeyUEJBPDKJMBFSLZ-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.68
Rot. Bonds8

About 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 55713603) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID55713603
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)c2cccc(OC(C)C)c2)s1
InChIInChI=1S/C20H25NO3S/c1-13(2)24-17-7-5-6-16(12-17)15(4)21-20(23)11-9-18(22)19-10-8-14(3)25-19/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,21,23)
InChIKeyUEJBPDKJMBFSLZ-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
N-[1-(2-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24544894
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116629
N-[1-(2-bromophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18111919
N-[(4-methoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24641645
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 29102875
N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 46433418
methyl 3-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]butanoate
CID 86977893
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide (CID 55713603) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)NC(C)c2cccc(OC(C)C)c2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is UEJBPDKJMBFSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-13(2)24-17-7-5-6-16(12-17)15(4)21-20(23)11-9-18(22)19-10-8-14(3)25-19/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,21,23).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 359.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 55713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).