N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide

C19H27NO5S — CID 36547223

IUPACN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H27NO5S/c1-2-24-17-7-9-18(10-8-17)25-13-19(21)20(15-5-3-4-6-15)16-11-12-26(22,23)14-16/h7-10,15-16H,2-6,11-14H2,1H3/t16-/m1/s1
InChIKeyIKFHCFDMRQWKEV-MRXNPFEDSA-N
MW381.49 g/mol
LogP2.42
Rot. Bonds7

About N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 36547223) has the molecular formula C19H27NO5S and a molecular weight of 381.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID36547223
Molecular FormulaC19H27NO5S
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H27NO5S/c1-2-24-17-7-9-18(10-8-17)25-13-19(21)20(15-5-3-4-6-15)16-11-12-26(22,23)14-16/h7-10,15-16H,2-6,11-14H2,1H3/t16-/m1/s1
InChIKeyIKFHCFDMRQWKEV-MRXNPFEDSA-N
XLogP2.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
ethyl 4-[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7705996
methyl 4-[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 9417003
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55602823
N-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55390501
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
CID 136529605

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide (CID 36547223) is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is IKFHCFDMRQWKEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO5S/c1-2-24-17-7-9-18(10-8-17)25-13-19(21)20(15-5-3-4-6-15)16-11-12-26(22,23)14-16/h7-10,15-16H,2-6,11-14H2,1H3/t16-/m1/s1.
What are the key properties of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 381.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 36547223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).