2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C19H23N7O3S — CID 41099363

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O
InChIInChI=1S/C19H23N7O3S/c1-2-19(13-8-4-3-5-9-13)16(28)26(17(29)20-19)22-15(27)12-30-18-21-23-24-25(18)14-10-6-7-11-14/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,20,29)(H,22,27)/t19-/m0/s1
InChIKeyFLSRAAFPHIHKHR-IBGZPJMESA-N
MW429.51 g/mol
LogP1.77
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 41099363) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID41099363
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O
InChIInChI=1S/C19H23N7O3S/c1-2-19(13-8-4-3-5-9-13)16(28)26(17(29)20-19)22-15(27)12-30-18-21-23-24-25(18)14-10-6-7-11-14/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,20,29)(H,22,27)/t19-/m0/s1
InChIKeyFLSRAAFPHIHKHR-IBGZPJMESA-N
XLogP1.77
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 41099363) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is FLSRAAFPHIHKHR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-2-19(13-8-4-3-5-9-13)16(28)26(17(29)20-19)22-15(27)12-30-18-21-23-24-25(18)14-10-6-7-11-14/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,20,29)(H,22,27)/t19-/m0/s1.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 429.51 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41099363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).