N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C18H23N5O4S — CID 41198695

IUPACN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N5O4S/c24-18(11-27-17-7-3-6-15(10-17)22-13-19-20-21-22)23(14-4-1-2-5-14)16-8-9-28(25,26)12-16/h3,6-7,10,13-14,16H,1-2,4-5,8-9,11-12H2/t16-/m1/s1
InChIKeyZLGNYPKZXOBTNN-MRXNPFEDSA-N
MW405.48 g/mol
LogP1.00
Rot. Bonds6

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

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 41198695) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID41198695
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC NameN-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N5O4S/c24-18(11-27-17-7-3-6-15(10-17)22-13-19-20-21-22)23(14-4-1-2-5-14)16-8-9-28(25,26)12-16/h3,6-7,10,13-14,16H,1-2,4-5,8-9,11-12H2/t16-/m1/s1
InChIKeyZLGNYPKZXOBTNN-MRXNPFEDSA-N
XLogP1.00
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 8008408
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 26006663
ethyl 4-[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7705996

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 41198695) is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is ZLGNYPKZXOBTNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O4S/c24-18(11-27-17-7-3-6-15(10-17)22-13-19-20-21-22)23(14-4-1-2-5-14)16-8-9-28(25,26)12-16/h3,6-7,10,13-14,16H,1-2,4-5,8-9,11-12H2/t16-/m1/s1.
What are the key properties of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 405.48 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 41198695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).