1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide

C25H25NO4S — CID 18090487

IUPAC1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4S/c27-25(22-15-16-31(28,29)19-22)26(23-9-5-2-6-10-23)17-20-11-13-24(14-12-20)30-18-21-7-3-1-4-8-21/h1-14,22H,15-19H2
InChIKeyUUXFLZYQFGNLDB-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.23
Rot. Bonds7

About 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide

1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide (PubChem CID 18090487) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide
PubChem CID18090487
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide
SMILESO=C(C1CCS(=O)(=O)C1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4S/c27-25(22-15-16-31(28,29)19-22)26(23-9-5-2-6-10-23)17-20-11-13-24(14-12-20)30-18-21-7-3-1-4-8-21/h1-14,22H,15-19H2
InChIKeyUUXFLZYQFGNLDB-UHFFFAOYSA-N
XLogP4.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[[4-(phenoxymethyl)phenyl]methyl]thiolane-3-carboxamide
CID 55689181
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
CID 134054105
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
1,1-dioxo-N-[[3-(phenoxymethyl)phenyl]methyl]thiolane-3-carboxamide
CID 55903865
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 43024797
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
2-(N-(1,1-dioxothiolane-3-carbonyl)-4-methylanilino)acetic acid
CID 60830600
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2607590
2-(1,1-dioxothiolan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 55688953
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 51727389
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide (CID 18090487) is 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide is O=C(C1CCS(=O)(=O)C1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide?
The InChIKey is UUXFLZYQFGNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4S/c27-25(22-15-16-31(28,29)19-22)26(23-9-5-2-6-10-23)17-20-11-13-24(14-12-20)30-18-21-7-3-1-4-8-21/h1-14,22H,15-19H2.
What are the key properties of 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide?
1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 18090487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).