N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide

C16H20N2O2S — CID 75382758

IUPACN-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
SMILESCOc1ccc(NC(=O)CC(C)NCc2ccsc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(17-10-13-7-8-21-11-13)9-16(19)18-14-3-5-15(20-2)6-4-14/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyGARNRVZCJTVCFX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.26
Rot. Bonds7

About N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide

N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide (PubChem CID 75382758) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
PubChem CID75382758
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
SMILESCOc1ccc(NC(=O)CC(C)NCc2ccsc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(17-10-13-7-8-21-11-13)9-16(19)18-14-3-5-15(20-2)6-4-14/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyGARNRVZCJTVCFX-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
(3S)-N-(4-methoxyphenyl)-3-thiophen-3-ylbutanamide
CID 102109179
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
N-(4-methoxyphenyl)-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]butanamide
CID 17463704
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
CID 46512060

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide (CID 75382758) is N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide is COc1ccc(NC(=O)CC(C)NCc2ccsc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide?
The InChIKey is GARNRVZCJTVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(17-10-13-7-8-21-11-13)9-16(19)18-14-3-5-15(20-2)6-4-14/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide?
N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide is sourced from PubChem (CID 75382758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).