N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide

C17H23N3O4S — CID 110406991

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(19-14-7-10-25(23,24)12-14)11-18-17(22)13-3-5-15(6-4-13)20-8-1-2-9-20/h3-6,14H,1-2,7-12H2,(H,18,22)(H,19,21)
InChIKeyFYRABPQTFDZLBP-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.32
Rot. Bonds5

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110406991) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110406991
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(19-14-7-10-25(23,24)12-14)11-18-17(22)13-3-5-15(6-4-13)20-8-1-2-9-20/h3-6,14H,1-2,7-12H2,(H,18,22)(H,19,21)
InChIKeyFYRABPQTFDZLBP-UHFFFAOYSA-N
XLogP0.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-(1,1-dioxothiolan-3-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109026393
1,1-dioxo-N-(4-pyrrolidin-1-ylphenyl)thiolan-3-amine
CID 55025310
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-piperidin-1-ylanilino)propanamide
CID 40809505
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51128424
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 52517068
N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108964695
6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 52515152
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 51717134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide (CID 110406991) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide is O=C(CNC(=O)c1ccc(N2CCCC2)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is FYRABPQTFDZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16(19-14-7-10-25(23,24)12-14)11-18-17(22)13-3-5-15(6-4-13)20-8-1-2-9-20/h3-6,14H,1-2,7-12H2,(H,18,22)(H,19,21).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 365.46 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).