2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide

C15H20FN3O4S — CID 75117733

IUPAC2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(NC(=O)NC1CCS(=O)(=O)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4S/c1-10(14(20)17-8-11-2-4-12(16)5-3-11)18-15(21)19-13-6-7-24(22,23)9-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeySZKNVBRLQQKONT-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.32
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide

2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 75117733) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID75117733
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(NC(=O)NC1CCS(=O)(=O)C1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4S/c1-10(14(20)17-8-11-2-4-12(16)5-3-11)18-15(21)19-13-6-7-24(22,23)9-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeySZKNVBRLQQKONT-UHFFFAOYSA-N
XLogP0.32
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanamide
CID 45495943
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41089096
(2S)-N-[2-(2,4-dichlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanamide
CID 45495952
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8999083
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N'-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526868
(2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-fluorophenyl)-3-methylbutanamide
CID 39311196
N-[(2-chlorophenyl)methyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methylbutanamide
CID 74827620
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251696
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 8995433
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)butanamide
CID 35181634

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide (CID 75117733) is 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide is CC(NC(=O)NC1CCS(=O)(=O)C1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is SZKNVBRLQQKONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-10(14(20)17-8-11-2-4-12(16)5-3-11)18-15(21)19-13-6-7-24(22,23)9-13/h2-5,10,13H,6-9H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide?
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 75117733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).