3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide

C20H25NOS — CID 18290416

IUPAC3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C20H25NOS/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h2,5-7,10-12,15-16,20H,1,3-4,8-9,13-14H2,(H,21,22)
InChIKeyAIYZGOYJYKOOIW-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.31
Rot. Bonds6

About 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide

3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 18290416) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID18290416
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C20H25NOS/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h2,5-7,10-12,15-16,20H,1,3-4,8-9,13-14H2,(H,21,22)
InChIKeyAIYZGOYJYKOOIW-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide
CID 8557506
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11929318
N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 86895496
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide (CID 18290416) is 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide is O=C(CCC1CCCCC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is AIYZGOYJYKOOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c22-19(14-13-16-8-3-1-4-9-16)21-20(18-12-7-15-23-18)17-10-5-2-6-11-17/h2,5-7,10-12,15-16,20H,1,3-4,8-9,13-14H2,(H,21,22).
What are the key properties of 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide?
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 327.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 18290416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).