N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide

C18H26N2O5S2 — CID 4838573

IUPACN-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c1-2-10-20(16-9-13-26(22,23)14-16)18(21)15-5-7-17(8-6-15)27(24,25)19-11-3-4-12-19/h5-8,16H,2-4,9-14H2,1H3
InChIKeyPNPGRICDOGELQM-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.51
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4838573) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4838573
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c1-2-10-20(16-9-13-26(22,23)14-16)18(21)15-5-7-17(8-6-15)27(24,25)19-11-3-4-12-19/h5-8,16H,2-4,9-14H2,1H3
InChIKeyPNPGRICDOGELQM-UHFFFAOYSA-N
XLogP1.51
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43235186
4-Benzenesulfonyl-N,N-diethyl-benzamide
CID 823600
Azepan-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2308402
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 6217652
(4-Pyrrolidin-1-ylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]methanone
CID 73334070
Benzamide, N,N-diethyl-o-(isopropylsulfonyl)-
CID 210038
Benzamide, N,N-diethyl-p-(methylsulfonyl)-
CID 210043
N-Cyclopentyl-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 651115
N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide
CID 664074
[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1435354
(4-Methylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1539823
4-[(dimethylamino)sulfonyl]-N-[2-(phenylthio)ethyl]benzamide
CID 1727273

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 4838573) is N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide is CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PNPGRICDOGELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c1-2-10-20(16-9-13-26(22,23)14-16)18(21)15-5-7-17(8-6-15)27(24,25)19-11-3-4-12-19/h5-8,16H,2-4,9-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4838573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).