3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide

C20H25N3O3S — CID 47050579

IUPAC3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H25N3O3S/c21-18(24)11-12-26-16-9-4-3-8-15(16)22-20(25)23-19(14-6-1-2-7-14)17-10-5-13-27-17/h3-5,8-10,13-14,19H,1-2,6-7,11-12H2,(H2,21,24)(H2,22,23,25)
InChIKeyQESCNUKFNARFKF-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.06
Rot. Bonds8

About 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide

3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide (PubChem CID 47050579) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide
PubChem CID47050579
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H25N3O3S/c21-18(24)11-12-26-16-9-4-3-8-15(16)22-20(25)23-19(14-6-1-2-7-14)17-10-5-13-27-17/h3-5,8-10,13-14,19H,1-2,6-7,11-12H2,(H2,21,24)(H2,22,23,25)
InChIKeyQESCNUKFNARFKF-UHFFFAOYSA-N
XLogP4.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide (CID 47050579) is 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide is NC(=O)CCOc1ccccc1NC(=O)NC(c1cccs1)C1CCCC1.
What is the InChIKey of 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide?
The InChIKey is QESCNUKFNARFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-18(24)11-12-26-16-9-4-3-8-15(16)22-20(25)23-19(14-6-1-2-7-14)17-10-5-13-27-17/h3-5,8-10,13-14,19H,1-2,6-7,11-12H2,(H2,21,24)(H2,22,23,25).
What are the key properties of 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide?
3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide has a molecular weight of 387.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]phenoxy]propanamide is sourced from PubChem (CID 47050579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).