N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C22H22N4O4S2 — CID 41153324

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H22N4O4S2/c27-18(24-21(28)23-17-11-12-32(29,30)14-17)13-31-22-25-19(15-7-3-1-4-8-15)20(26-22)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,25,26)(H2,23,24,27,28)/t17-/m1/s1
InChIKeyPVYOZOMRFOZQRT-QGZVFWFLSA-N
MW470.58 g/mol
LogP2.85
Rot. Bonds6

About N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 41153324) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID41153324
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H22N4O4S2/c27-18(24-21(28)23-17-11-12-32(29,30)14-17)13-31-22-25-19(15-7-3-1-4-8-15)20(26-22)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,25,26)(H2,23,24,27,28)/t17-/m1/s1
InChIKeyPVYOZOMRFOZQRT-QGZVFWFLSA-N
XLogP2.85
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-2-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 66485255
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40811750
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-cyclopentylacetamide
CID 4840323
N-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 18098536
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 136674382
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 42111201
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 11740568
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[(3R)-1,1-dioxothiolan-3-yl]-2-quinolin-2-ylsulfanylacetamide
CID 40551032

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 41153324) is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is PVYOZOMRFOZQRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c27-18(24-21(28)23-17-11-12-32(29,30)14-17)13-31-22-25-19(15-7-3-1-4-8-15)20(26-22)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,25,26)(H2,23,24,27,28)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 470.58 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 41153324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).