3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide

C15H20N2O4S — CID 18109975

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C15H20N2O4S/c1-5-10-16-15(18)12-8-9-13(21-4)14(11-12)22(19,20)17(6-2)7-3/h1,8-9,11H,6-7,10H2,2-4H3,(H,16,18)
InChIKeyYDLUXUSQGXQFKJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.09
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide

3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide (PubChem CID 18109975) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
PubChem CID18109975
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C15H20N2O4S/c1-5-10-16-15(18)12-8-9-13(21-4)14(11-12)22(19,20)17(6-2)7-3/h1,8-9,11H,6-7,10H2,2-4H3,(H,16,18)
InChIKeyYDLUXUSQGXQFKJ-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55948926
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide (CID 18109975) is 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide?
The InChIKey is YDLUXUSQGXQFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-5-10-16-15(18)12-8-9-13(21-4)14(11-12)22(19,20)17(6-2)7-3/h1,8-9,11H,6-7,10H2,2-4H3,(H,16,18).
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide?
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide has a molecular weight of 324.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 18109975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).