N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide

C20H30N2O3S — CID 78871349

IUPACN-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O3S/c1-21(19-12-14-26(24,25)16-19)15-20(23)22(18-9-5-6-10-18)13-11-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyUUDCEUKJUHUEKT-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.12
Rot. Bonds7

About N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide

N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 78871349) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID78871349
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H30N2O3S/c1-21(19-12-14-26(24,25)16-19)15-20(23)22(18-9-5-6-10-18)13-11-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyUUDCEUKJUHUEKT-UHFFFAOYSA-N
XLogP2.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(2-phenylethyl)amino]acetic acid
CID 60838540
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
3-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-phenylethyl)propanamide
CID 41409415
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
2-(N-benzylanilino)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 112800265
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
CID 18593889
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 7222574
N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide
CID 78860123
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8540241
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-propylphenyl)ethanone
CID 43227373
N'-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N-(2-phenylethyl)oxamide
CID 108505849

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide (CID 78871349) is N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is UUDCEUKJUHUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-21(19-12-14-26(24,25)16-19)15-20(23)22(18-9-5-6-10-18)13-11-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3.
What are the key properties of N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide?
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 378.54 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 78871349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).