4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide

C14H18N2O4S — CID 39736994

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H18N2O4S/c1-5-8-15-14(17)11-6-7-12(20-4)13(9-11)21(18,19)16-10(2)3/h1,6-7,9-10,16H,8H2,2-4H3,(H,15,17)
InChIKeyMZCQXFWYRAUDRX-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.74
Rot. Bonds6

About 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide

4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide (PubChem CID 39736994) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
PubChem CID39736994
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C14H18N2O4S/c1-5-8-15-14(17)11-6-7-12(20-4)13(9-11)21(18,19)16-10(2)3/h1,6-7,9-10,16H,8H2,2-4H3,(H,15,17)
InChIKeyMZCQXFWYRAUDRX-UHFFFAOYSA-N
XLogP0.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide (CID 39736994) is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide?
The InChIKey is MZCQXFWYRAUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-5-8-15-14(17)11-6-7-12(20-4)13(9-11)21(18,19)16-10(2)3/h1,6-7,9-10,16H,8H2,2-4H3,(H,15,17).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide?
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide has a molecular weight of 310.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 39736994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).