N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide

C26H24N4O3S — CID 25407191

IUPACN-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESO=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C26H24N4O3S/c31-23(27-17-16-19-10-4-1-5-11-19)18-22-25(33)29(21-14-8-3-9-15-21)26(34)30(22)28-24(32)20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,27,31)(H,28,32)/t22-/m0/s1
InChIKeyMXTZYYLDYOBJHW-QFIPXVFZSA-N
MW472.57 g/mol
LogP3.08
Rot. Bonds8

About N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide

N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 25407191) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID25407191
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESO=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C26H24N4O3S/c31-23(27-17-16-19-10-4-1-5-11-19)18-22-25(33)29(21-14-8-3-9-15-21)26(34)30(22)28-24(32)20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,27,31)(H,28,32)/t22-/m0/s1
InChIKeyMXTZYYLDYOBJHW-QFIPXVFZSA-N
XLogP3.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(4-methoxyphenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4247232
3-fluoro-N-[3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 5050446
N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4533086
4-bromo-N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26802105
N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide
CID 34881735
N-[(5S)-5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide
CID 1348212
N-[5-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3384304
methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 5079824
4-chloro-N-[5-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4224283
4-bromo-N-[3-(4-chlorophenyl)-5-[2-(ethylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 5235238
ethyl N-[5-[2-(methylamino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]carbamate
CID 24797225
N-[5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
CID 4083143

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 25407191) is N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide is O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is MXTZYYLDYOBJHW-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N4O3S/c31-23(27-17-16-19-10-4-1-5-11-19)18-22-25(33)29(21-14-8-3-9-15-21)26(34)30(22)28-24(32)20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,27,31)(H,28,32)/t22-/m0/s1.
What are the key properties of N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 25407191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).