1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea

C20H24N2O3S — CID 47016194

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c23-20(22-18-12-14-26(24,25)15-18)21-13-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,21,22,23)
InChIKeyUFCHDCDNTLXFEN-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.69
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea

1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea (PubChem CID 47016194) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
PubChem CID47016194
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c23-20(22-18-12-14-26(24,25)15-18)21-13-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,21,22,23)
InChIKeyUFCHDCDNTLXFEN-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-phenoxybutyl)urea
CID 94026963
1-(1,1-dioxothiolan-3-yl)-3-(3-phenylmethoxypropyl)urea
CID 51081517
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[6-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]hexyl]urea
CID 51522467
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)-1-methylurea
CID 42885771
1-(1,1-dioxothiolan-3-yl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 131962718
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 39314332
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea (CID 47016194) is 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea?
The InChIKey is UFCHDCDNTLXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(22-18-12-14-26(24,25)15-18)21-13-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H2,21,22,23).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea?
1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea has a molecular weight of 372.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 47016194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).