N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide

C14H21N3O5S — CID 51217976

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C14H21N3O5S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)23(20,21)17(3)22-4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyBRJURYWKFXIKPE-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.12
Rot. Bonds7

About N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 51217976) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID51217976
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C14H21N3O5S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)23(20,21)17(3)22-4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyBRJURYWKFXIKPE-UHFFFAOYSA-N
XLogP0.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 9162366
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 51217976) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide is CCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is BRJURYWKFXIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)23(20,21)17(3)22-4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 51217976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).