3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide

C15H23N3O5S2 — CID 74243722

IUPAC3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23N3O5S2/c1-16-6-7-17-15(19)13-3-2-4-14(9-13)25(22,23)18-10-12-5-8-24(20,21)11-12/h2-4,9,12,16,18H,5-8,10-11H2,1H3,(H,17,19)
InChIKeyPTLUERWECWLDJM-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.65
Rot. Bonds8

About 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide

3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide (PubChem CID 74243722) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
PubChem CID74243722
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H23N3O5S2/c1-16-6-7-17-15(19)13-3-2-4-14(9-13)25(22,23)18-10-12-5-8-24(20,21)11-12/h2-4,9,12,16,18H,5-8,10-11H2,1H3,(H,17,19)
InChIKeyPTLUERWECWLDJM-UHFFFAOYSA-N
XLogP-0.65
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 47023234
3-[2-(dimethylamino)ethylsulfamoyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109063989
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
ethyl 4-[[(3R)-1,1-dioxothiolan-3-yl]methylsulfamoyl]benzoate
CID 52512736

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide (CID 74243722) is 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1cccc(S(=O)(=O)NCC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is PTLUERWECWLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-16-6-7-17-15(19)13-3-2-4-14(9-13)25(22,23)18-10-12-5-8-24(20,21)11-12/h2-4,9,12,16,18H,5-8,10-11H2,1H3,(H,17,19).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide?
3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 74243722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).