N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide

C14H20N2O5S2 — CID 47023694

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H20N2O5S2/c15-23(20,21)13-4-1-11(2-5-13)3-6-14(17)16-9-12-7-8-22(18,19)10-12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,20,21)
InChIKeyHOOOMIVMCNJGON-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.18
Rot. Bonds6

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 47023694) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID47023694
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NCC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H20N2O5S2/c15-23(20,21)13-4-1-11(2-5-13)3-6-14(17)16-9-12-7-8-22(18,19)10-12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,20,21)
InChIKeyHOOOMIVMCNJGON-UHFFFAOYSA-N
XLogP-0.18
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 99932600
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47189594
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(2-cyclopropylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 115591226
2-(4-carbamothioylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
(E)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-methyl-5-phenylpent-2-enamide
CID 95287712
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
3-[4-(methylsulfamoyl)phenyl]-N-(oxan-4-ylmethyl)propanamide
CID 91768015
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide (CID 47023694) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(CCC(=O)NCC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is HOOOMIVMCNJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c15-23(20,21)13-4-1-11(2-5-13)3-6-14(17)16-9-12-7-8-22(18,19)10-12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,20,21).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 360.46 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 47023694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).